BAS 00619642
TL;DR: BAS 00619642 (CAS 313233-79-3) is a chemical compound with molecular formula C20H21N3O7S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: BAS 00619642, Ethyl 4-methyl-5-(4-morpholinylcarbonyl)-2-[(4-nitrobenzoyl)amino]-3-thiophenecarboxylate, ETHYL 4-METHYL-5-(MORPHOLINE-4-CARBONYL)-2-(4-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate, ethyl 4-methyl-5-(morpholin-4-ylcarbonyl)-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C20H21N3O7S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 2.86612 |
| Topological Polar Surface Area | 128.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.11002 |
| Heavy Atoms | 31 |
| Complexity | 1010.52594 |
Chemical Identifiers
| CAS Number | 313233-79-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00619642 (CAS 313233-79-3), with molecular formula C20H21N3O7S and molecular weight 447.11 g/mol. IUPAC: ethyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of BAS 00619642
Property Insights of BAS 00619642
The XLogP value of 2.86612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00619642. The TPSA of 128.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00619642. Following Lipinski's Rule of Five, BAS 00619642 has 1 hydrogen bond donor(s) and 8 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 00619642?
The CAS number of BAS 00619642 is 313233-79-3.
What is the molecular formula of BAS 00619642?
The molecular formula of BAS 00619642 is C20H21N3O7S.
What is the molecular weight of BAS 00619642?
The molecular weight of BAS 00619642 is 447.11 g/mol.
Where can I buy BAS 00619642?
You can request a quote for BAS 00619642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00619642?
Yes, KEHONG BIO provides custom synthesis services for BAS 00619642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.