BAS 02102131
TL;DR: BAS 02102131 (CAS 333308-08-0) is a chemical compound with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
Also Known As: BAS 02102131, methyl 4-methyl-2-[(phenylacetyl)amino]-5-(2-toluidinocarbonyl)thiophene-3-carboxylate, methyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate, methyl 4-methyl-2-(2-phenylacetamido)-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, methyl 4-methyl-2-[(2-phenylacetyl)amino]-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 4.58504 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 1089.8375 |
Chemical Identifiers
| CAS Number | 333308-08-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)CC3=CC=CC=C3)C(=O)OC)C |
Product Overview
BAS 02102131 (CAS 333308-08-0), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: methyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 02102131
Property Insights of BAS 02102131
The XLogP value of 4.58504 indicates that BAS 02102131 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 02102131. Following Lipinski's Rule of Five, BAS 02102131 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 02102131?
The CAS number of BAS 02102131 is 333308-08-0.
What is the molecular formula of BAS 02102131?
The molecular formula of BAS 02102131 is C23H22N2O4S.
What is the molecular weight of BAS 02102131?
The molecular weight of BAS 02102131 is 422.13 g/mol.
Where can I buy BAS 02102131?
You can request a quote for BAS 02102131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02102131?
Yes, KEHONG BIO provides custom synthesis services for BAS 02102131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.