2-Phenylsulfanylbenzene-1,3-dicarboxylic acid
TL;DR: 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid (CAS 69270-13-9) is a chemical compound with molecular formula C14H10O4S and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylbenzene-1,3-dicarboxylic acid
Also Known As: 2-phenylsulfanylbenzene-1,3-dicarboxylic acid, 2-(Phenylsulfanyl)benzene-1,3-dicarboxylic acid
| Molecular Formula | C14H10O4S |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.02997 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 69270-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C=CC=C2C(=O)O)C(=O)O |
| InChIKey | ZFJOOERBHLQUTB-UHFFFAOYSA-N |
Product Overview
2-Phenylsulfanylbenzene-1,3-dicarboxylic acid (CAS 69270-13-9), with molecular formula C14H10O4S and molecular weight 274.03 g/mol. IUPAC: 2-phenylsulfanylbenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid
Property Insights of 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid
The XLogP value of 3.0 indicates that 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid has 2 hydrogen bond donor(s) and 5 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-Phenylsulfanylbenzene-1,3-dicarboxylic acid?
The CAS number of 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid is 69270-13-9.
What is the molecular formula of 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid?
The molecular formula of 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid is C14H10O4S.
What is the molecular weight of 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid?
The molecular weight of 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid is 274.03 g/mol.
Where can I buy 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid?
You can request a quote for 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylsulfanylbenzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.