BAS 00663556
TL;DR: BAS 00663556 (CAS 331948-10-8) is a chemical compound with molecular formula C19H20Cl3N3O4S and molecular weight 491.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Also Known As: BAS 00663556, ethyl 2-{[1-(acetylamino)-2,2,2-trichloroethyl]amino}-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 2-((1-acetamido-2,2,2-trichloroethyl)amino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 2-[(1-acetamido-2,2,2-trichloroethyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate, ETHYL 4-METHYL-5-(PHENYLCARBAMOYL)-2-[(2,2,2-TRICHLORO-1-ACETAMIDOETHYL)AMINO]THIOPHENE-3-CARBOXYLATE
Technical Specifications
| Molecular Formula | C19H20Cl3N3O4S |
| Molecular Weight | 491.02402 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.02402 Da |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)C |
| InChIKey | MDXFEEQPOYZSQF-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00663556
Property Insights of BAS 00663556
The XLogP value of 5.6 indicates that BAS 00663556 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00663556. Following Lipinski's Rule of Five, BAS 00663556 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00663556?
The CAS number of BAS 00663556 is 331948-10-8.
What is the molecular formula of BAS 00663556?
The molecular formula of BAS 00663556 is C19H20Cl3N3O4S.
What is the molecular weight of BAS 00663556?
The molecular weight of BAS 00663556 is 491.02402 g/mol.
Where can I buy BAS 00663556?
You can request a quote for BAS 00663556 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00663556?
Yes, CoreyChem provides custom synthesis services for BAS 00663556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.