Free release
Naphthalene-1,5-disulfonic acid tetrahydrate

Naphthalene-1,5-disulfonic acid tetrahydrate

CAS No. :211366-30-2MDL No. :MFCD00149265Formula :C10H16O10S2Boiling Point :No data availableLinear Structure Formula :-

Sales:Service@apichina.com
CAS No. :211366-30-2 Brand :Qitai
Formula :C10H16O10S2 M.W :360.36

Introduction

CAS No. :211366-30-2 MDL No. :MFCD00149265
Formula : C10H16O10S2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZLBLYGIIADHDKG-UHFFFAOYSA-N
M.W : 360.36 Pubchem ID :53249422
Synonyms :

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 10.0
Num. H-bond donors : 6.0
Molar Refractivity : 75.86
TPSA : 162.42 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -10.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.03
Log Po/w (XLOGP3) : -2.96
Log Po/w (WLOGP) : 3.24
Log Po/w (MLOGP) : -1.69
Log Po/w (SILICOS-IT) : -0.37
Consensus Log Po/w : -0.56

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : -0.41
Solubility : 139.0 mg/ml ; 0.386 mol/l
Class : Very soluble
Log S (Ali) : 0.11
Solubility : 464.0 mg/ml ; 1.29 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -2.77
Solubility : 0.615 mg/ml ; 0.00171 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.03
Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:2585
Hazard Statements:H314 Packing Group:
GHS Pictogram: