[email protected]
CAS 343228-20-6 3,3′-Dimercapto-[1,1′-Biphenyl]-4,4′-Dicarboxylic Acid molecular structure lightbox
CAS RN: 343228-20-6

3,3′-Dimercapto-[1,1′-Biphenyl]-4,4′-Dicarboxylic Acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: LIND887305
GET A QUOTE

343228-20-6 / 4-(4-carboxy-3-sulfanylphenyl)-2-sulfanylbenzoic acid

Standard CAS: 343228-20-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
343228-20-6
Multi CAS
No
Molecular Formula
C14H10O4S2
Molecular Weight
306.400000
Exact Mass
306.002051
InChI
InChI=1S/C14H10O4S2/c15-13(16)9-3-1-7(5-11(9)19)8-2-4-10(14(17)18)12(20)6-8/h1-6,19-20H,(H,15,16)(H,17,18)
InChIKey
WMVWIXQVNGAZRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
80.3
TPSA
74.6

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us