![2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid structure](/static/products/943/94307-71-8.png)
2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid
TL;DR: 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid (CAS 94307-71-8) is a chemical compound with molecular formula C19H14O4S3 and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-carboxyphenyl)sulfanyl-thiophen-2-ylmethyl]sulfanylbenzoic acid
Also Known As: 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid, 2-[(2-carboxyphenyl)sulfanyl-thiophen-2-ylmethyl]sulfanylben, 2,2'-{[(Thiophen-2-yl)methylene]bis(sulfanediyl)}dibenzoic acid, 2-[(2-carboxyphenyl)sulfanyl-thiophen-2-ylmethyl]sulfanylbenzoic acid
| Molecular Formula | C19H14O4S3 |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.00543 |
| Heavy Atoms | 26 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 94307-71-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC(C2=CC=CS2)SC3=CC=CC=C3C(=O)O |
| InChIKey | IGFSJYAEPAKGSG-UHFFFAOYSA-N |
Product Overview
2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid (CAS 94307-71-8), with molecular formula C19H14O4S3 and molecular weight 402.01 g/mol. IUPAC: 2-[(2-carboxyphenyl)sulfanyl-thiophen-2-ylmethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid
Property Insights of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid
The XLogP value of 5.0 indicates that 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid?
The CAS number of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid is 94307-71-8.
What is the molecular formula of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid?
The molecular formula of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid is C19H14O4S3.
What is the molecular weight of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid?
The molecular weight of 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid is 402.01 g/mol.
Where can I buy 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid?
You can request a quote for 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-{[(Thiophen-2-yl)methylene]disulfanediyl}dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.