BAS 02498121
TL;DR: BAS 02498121 (CAS 335410-67-8) is a chemical compound with molecular formula C22H19ClN2O4S and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chlorobenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: BAS 02498121, Methyl 2-(2-chlorobenzamido)-4-methyl-5-(m-tolylcarbamoyl)thiophene-3-carboxylate, Methyl2-(2-chlorobenzamido)-4-methyl-5-(m-tolylcarbamoyl)thiophene-3-carboxylate, 2-(2-Chloro-benzoylamino)-4-methyl-5-m-tolylcarbamoyl-thiophene-3-carboxylic acid methyl ester, methyl 2-[(2-chlorobenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C22H19ClN2O4S |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 5.30954 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0754 |
| Heavy Atoms | 30 |
| Complexity | 1139.9163 |
Chemical Identifiers
| CAS Number | 335410-67-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=CC=C3Cl)C(=O)OC)C |
Product Overview
BAS 02498121 (CAS 335410-67-8), with molecular formula C22H19ClN2O4S and molecular weight 442.08 g/mol. IUPAC: methyl 2-[(2-chlorobenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of BAS 02498121
Property Insights of BAS 02498121
The XLogP value of 5.30954 indicates that BAS 02498121 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 02498121. Following Lipinski's Rule of Five, BAS 02498121 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 02498121?
The CAS number of BAS 02498121 is 335410-67-8.
What is the molecular formula of BAS 02498121?
The molecular formula of BAS 02498121 is C22H19ClN2O4S.
What is the molecular weight of BAS 02498121?
The molecular weight of BAS 02498121 is 442.08 g/mol.
Where can I buy BAS 02498121?
You can request a quote for BAS 02498121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02498121?
Yes, KEHONG BIO provides custom synthesis services for BAS 02498121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.