BAS 06104350
TL;DR: BAS 06104350 (CAS 312939-83-6) is a chemical compound with molecular formula C18H17NO5S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]benzoic acid
Also Known As: BAS 06104350, AE-848/36648052, 2-(2-Carboxy-benzoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester, 2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]benzoic acid, 2-({[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}carbonyl)benzoic acid
| Molecular Formula | C18H17NO5S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.364 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.08273 |
| Heavy Atoms | 25 |
| Complexity | 855.1465 |
Chemical Identifiers
| CAS Number | 312939-83-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
BAS 06104350 (CAS 312939-83-6), with molecular formula C18H17NO5S and molecular weight 359.08 g/mol. IUPAC: 2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]benzoic acid.
Chemical Property Profile of BAS 06104350
Property Insights of BAS 06104350
The XLogP value of 3.364 indicates that BAS 06104350 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06104350. Following Lipinski's Rule of Five, BAS 06104350 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 BAS 06104350?
The CAS number of BAS 06104350 is 312939-83-6.
What is the molecular formula of BAS 06104350?
The molecular formula of BAS 06104350 is C18H17NO5S.
What is the molecular weight of BAS 06104350?
The molecular weight of BAS 06104350 is 359.08 g/mol.
Where can I buy BAS 06104350?
You can request a quote for BAS 06104350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06104350?
Yes, KEHONG BIO provides custom synthesis services for BAS 06104350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.