BAS 00702946
TL;DR: BAS 00702946 (CAS 303137-19-1) is a chemical compound with molecular formula C23H21ClN2O4S and molecular weight 456.09106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
Also Known As: BAS 00702946, ethyl 5-[(3-chloroanilino)carbonyl]-4-methyl-2-[(4-methylbenzoyl)amino]-3-thiophenecarboxylate, ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate, ethyl 5-((3-chlorophenyl)carbamoyl)-4-methyl-2-(4-methylbenzamido)thiophene-3-carboxylate, ETHYL 5-[(3-CHLOROPHENYL)CARBAMOYL]-4-METHYL-2-(4-METHYLBENZAMIDO)THIOPHENE-3-CARBOXYLATE
Technical Specifications
| Molecular Formula | C23H21ClN2O4S |
| Molecular Weight | 456.09106 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.09106 Da |
| Heavy Atoms | 31 |
| Complexity | 655.0 |
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=C(C=C3)C |
| InChIKey | BQOZXCDTIQOVKR-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00702946
Property Insights of BAS 00702946
The XLogP value of 6.1 indicates that BAS 00702946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00702946. Following Lipinski's Rule of Five, BAS 00702946 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00702946?
The CAS number of BAS 00702946 is 303137-19-1.
What is the molecular formula of BAS 00702946?
The molecular formula of BAS 00702946 is C23H21ClN2O4S.
What is the molecular weight of BAS 00702946?
The molecular weight of BAS 00702946 is 456.09106 g/mol.
Where can I buy BAS 00702946?
You can request a quote for BAS 00702946 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00702946?
Yes, CoreyChem provides custom synthesis services for BAS 00702946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.