BAS 02496977
TL;DR: BAS 02496977 (CAS 335407-97-1) is a chemical compound with molecular formula C24H20ClF3N2O5S and molecular weight 540.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: BAS 02496977, Methyl 5-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-2-(2-(4-methoxyphenyl)acetamido)-4-methylthiophene-3-carboxylate, 5-(2-Chloro-5-trifluoromethyl-phenylcarbamoyl)-2-[2-(4-methoxy-phenyl)-acetylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester, methyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate, Methyl5-((2-chloro-5-(trifluoromethyl)phenyl)carbamoyl)-2-(2-(4-methoxyphenyl)acetamido)-4-methylthiophene-3-carboxylate
| Molecular Formula | C24H20ClF3N2O5S |
|---|---|
| Molecular Weight | 540.07 g/mol |
| LogP | 5.95742 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 540.07336 |
| Heavy Atoms | 36 |
| Complexity | 1306.3162 |
Chemical Identifiers
| CAS Number | 335407-97-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=C(C=C2)OC)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
BAS 02496977 (CAS 335407-97-1), with molecular formula C24H20ClF3N2O5S and molecular weight 540.07 g/mol. IUPAC: methyl 5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BAS 02496977
Property Insights of BAS 02496977
The XLogP value of 5.95742 indicates that BAS 02496977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02496977. Following Lipinski's Rule of Five, BAS 02496977 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02496977?
The CAS number of BAS 02496977 is 335407-97-1.
What is the molecular formula of BAS 02496977?
The molecular formula of BAS 02496977 is C24H20ClF3N2O5S.
What is the molecular weight of BAS 02496977?
The molecular weight of BAS 02496977 is 540.07 g/mol.
Where can I buy BAS 02496977?
You can request a quote for BAS 02496977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02496977?
Yes, KEHONG BIO provides custom synthesis services for BAS 02496977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.