BAS 00529346
TL;DR: BAS 00529346 (CAS 51452-22-3) is a chemical compound with molecular formula C10H12O4S2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfanylthiophene-2,5-dicarboxylic acid
Also Known As: BAS 00529346, 3-(tert-butylthio)thiophene-2,5-dicarboxylic acid, 3-tert-butylsulfanylthiophene-2,5-dicarboxylic acid, 3-(tert-Butylthio)-2,5-thiophenedicarboxylic acid, 3-tert-Butylsulfanyl-thiophene-2,5-dicarboxylic acid
| Molecular Formula | C10H12O4S2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0177 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 51452-22-3 |
|---|---|
| SMILES | CC(C)(C)SC1=C(SC(=C1)C(=O)O)C(=O)O |
| InChIKey | AIDPCPCBSDXZQQ-UHFFFAOYSA-N |
Product Overview
BAS 00529346 (CAS 51452-22-3), with molecular formula C10H12O4S2 and molecular weight 260.02 g/mol. IUPAC: 3-tert-butylsulfanylthiophene-2,5-dicarboxylic acid.
Chemical Property Profile of BAS 00529346
Property Insights of BAS 00529346
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00529346. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00529346. Following Lipinski's Rule of Five, BAS 00529346 has 2 hydrogen bond donor(s) and 6 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 BAS 00529346?
The CAS number of BAS 00529346 is 51452-22-3.
What is the molecular formula of BAS 00529346?
The molecular formula of BAS 00529346 is C10H12O4S2.
What is the molecular weight of BAS 00529346?
The molecular weight of BAS 00529346 is 260.02 g/mol.
Where can I buy BAS 00529346?
You can request a quote for BAS 00529346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00529346?
Yes, KEHONG BIO provides custom synthesis services for BAS 00529346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.