4-(1,3-Dithiolan-2-yl)benzoic acid
TL;DR: 4-(1,3-Dithiolan-2-yl)benzoic acid (CAS 101033-03-8) is a chemical compound with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dithiolan-2-yl)benzoic acid
Also Known As: 4-(1,3-dithiolan-2-yl)benzoic acid, Benzoic acid, 4-(1,3-dithiolan-2-yl)-, Benzoicacid, 4-(1,3-dithiolan-2-yl)-, Benzoicacid,4-(1,3-dithiolan-2-yl), 4-(1,3-DITHIOLAN-2-YL)BENZOICACID
| Molecular Formula | C10H10O2S2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.8634 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.01222 |
| Heavy Atoms | 14 |
| Complexity | 328.48016 |
Chemical Identifiers
| CAS Number | 101033-03-8 |
|---|---|
| SMILES | C1CSC(S1)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(1,3-Dithiolan-2-yl)benzoic acid (CAS 101033-03-8), with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol. IUPAC: 4-(1,3-dithiolan-2-yl)benzoic acid.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)benzoic acid
Property Insights of 4-(1,3-Dithiolan-2-yl)benzoic acid
The XLogP value of 2.8634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Dithiolan-2-yl)benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(1,3-Dithiolan-2-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)benzoic acid has 1 hydrogen bond donor(s) and 3 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 4-(1,3-Dithiolan-2-yl)benzoic acid?
The CAS number of 4-(1,3-Dithiolan-2-yl)benzoic acid is 101033-03-8.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)benzoic acid?
The molecular formula of 4-(1,3-Dithiolan-2-yl)benzoic acid is C10H10O2S2.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)benzoic acid?
The molecular weight of 4-(1,3-Dithiolan-2-yl)benzoic acid is 226.01 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)benzoic acid?
You can request a quote for 4-(1,3-Dithiolan-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.