BAS 02497745
TL;DR: BAS 02497745 (CAS 335409-80-8) is a chemical compound with molecular formula C21H16ClFN2O4S and molecular weight 446.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(3-chlorophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: BAS 02497745, Methyl 5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate, Methyl5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate, 5-(3-Chloro-phenylcarbamoyl)-2-(4-fluoro-benzoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester, methyl 5-[(3-chlorophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H16ClFN2O4S |
|---|---|
| Molecular Weight | 446.05 g/mol |
| LogP | 5.14022 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.05032 |
| Heavy Atoms | 30 |
| Complexity | 1128.535 |
Chemical Identifiers
| CAS Number | 335409-80-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Cl |
Product Overview
BAS 02497745 (CAS 335409-80-8), with molecular formula C21H16ClFN2O4S and molecular weight 446.05 g/mol. IUPAC: methyl 5-[(3-chlorophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BAS 02497745
Property Insights of BAS 02497745
The XLogP value of 5.14022 indicates that BAS 02497745 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 02497745. Following Lipinski's Rule of Five, BAS 02497745 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02497745?
The CAS number of BAS 02497745 is 335409-80-8.
What is the molecular formula of BAS 02497745?
The molecular formula of BAS 02497745 is C21H16ClFN2O4S.
What is the molecular weight of BAS 02497745?
The molecular weight of BAS 02497745 is 446.05 g/mol.
Where can I buy BAS 02497745?
You can request a quote for BAS 02497745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02497745?
Yes, KEHONG BIO provides custom synthesis services for BAS 02497745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.