A2739/0116338
TL;DR: A2739/0116338 (CAS 445464-96-0) is a chemical compound with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: A2739/0116338, ethyl 5-acetyl-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate, ETHYL 5-ACETYL-4-METHYL-2-(3-METHYL-4-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 5-acetyl-4-methyl-2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C18H18N2O6S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 3.90474 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.08856 |
| Heavy Atoms | 27 |
| Complexity | 947.5688 |
Chemical Identifiers
| CAS Number | 445464-96-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C |
Product Overview
A2739/0116338 (CAS 445464-96-0), with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol. IUPAC: ethyl 5-acetyl-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of A2739/0116338
Property Insights of A2739/0116338
The XLogP value of 3.90474 indicates that A2739/0116338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for A2739/0116338. Following Lipinski's Rule of Five, A2739/0116338 has 1 hydrogen bond donor(s) and 7 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 A2739/0116338?
The CAS number of A2739/0116338 is 445464-96-0.
What is the molecular formula of A2739/0116338?
The molecular formula of A2739/0116338 is C18H18N2O6S.
What is the molecular weight of A2739/0116338?
The molecular weight of A2739/0116338 is 390.09 g/mol.
Where can I buy A2739/0116338?
You can request a quote for A2739/0116338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2739/0116338?
Yes, KEHONG BIO provides custom synthesis services for A2739/0116338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.