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CAS 31375-02-7 benzene-1,4-disulfonic acid molecular structure lightbox
CAS RN: 31375-02-7

benzene-1,4-disulfonic acid

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250215 100mg Out of stock Inquiry
Batchno.20260623 50mg Out of stock Inquiry
  • Product code: starshine_CAS31375-02-7
  • Purity/Analytical Methods: >99.0%
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31375-02-7 / benzene-1,4-disulfonic acid

Standard CAS: 31375-02-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31375-02-7
Multi CAS
Yes
Molecular Formula
C6H6O6S2
Molecular Weight
238.200000
Exact Mass
237.960580
InChI
InChI=1S/C6H6O6S2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H,7,8,9)(H,10,11,12)
InChIKey
OATNQHYJXLHTEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.07
TPSA
108.74

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
-0.6
Consensus LogP
-0.09
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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