BAS 09587729
TL;DR: BAS 09587729 (CAS 599149-82-3) is a chemical compound with molecular formula C21H23FN2O4S and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(cyclopentylcarbamoyl)-2-[(2-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: BAS 09587729, A3093/0130921, ETHYL 5-(CYCLOPENTYLCARBAMOYL)-2-(2-FLUOROBENZAMIDO)-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 5-(cyclopentylcarbamoyl)-2-[(2-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate, ethyl 5-(cyclopentylcarbamoyl)-2-{[(2-fluorophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H23FN2O4S |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.29702 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.13626 |
| Heavy Atoms | 29 |
| Complexity | 934.75745 |
Chemical Identifiers
| CAS Number | 599149-82-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCC2)NC(=O)C3=CC=CC=C3F |
Product Overview
BAS 09587729 (CAS 599149-82-3), with molecular formula C21H23FN2O4S and molecular weight 418.14 g/mol. IUPAC: ethyl 5-(cyclopentylcarbamoyl)-2-[(2-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BAS 09587729
Property Insights of BAS 09587729
The XLogP value of 4.29702 indicates that BAS 09587729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09587729. Following Lipinski's Rule of Five, BAS 09587729 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 09587729?
The CAS number of BAS 09587729 is 599149-82-3.
What is the molecular formula of BAS 09587729?
The molecular formula of BAS 09587729 is C21H23FN2O4S.
What is the molecular weight of BAS 09587729?
The molecular weight of BAS 09587729 is 418.14 g/mol.
Where can I buy BAS 09587729?
You can request a quote for BAS 09587729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09587729?
Yes, KEHONG BIO provides custom synthesis services for BAS 09587729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.