A2738/0116305
TL;DR: A2738/0116305 (CAS 445464-76-6) 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-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: A2738/0116305, ETHYL 5-ACETYL-4-METHYL-2-(2-METHYL-3-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 5-acetyl-4-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate, 5-Acetyl-4-methyl-2-(2-methyl-3-nitro-benzoylamino)-thiophene-3-carboxylic acid ethyl ester, ethyl 5-acetyl-2-({3-nitro-2-methylbenzoyl}amino)-4-methyl-3-thiophenecarboxylate
| Molecular Formula | C18H18N2O6S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.08856 |
| Heavy Atoms | 27 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 445464-76-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
| InChIKey | OBAWHMDOCUIRTB-UHFFFAOYSA-N |
Product Overview
A2738/0116305 (CAS 445464-76-6), with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol. IUPAC: ethyl 5-acetyl-4-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of A2738/0116305
Property Insights of A2738/0116305
The XLogP value of 4.1 indicates that A2738/0116305 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting A2738/0116305 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2738/0116305 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 A2738/0116305?
The CAS number of A2738/0116305 is 445464-76-6.
What is the molecular formula of A2738/0116305?
The molecular formula of A2738/0116305 is C18H18N2O6S.
What is the molecular weight of A2738/0116305?
The molecular weight of A2738/0116305 is 390.09 g/mol.
Where can I buy A2738/0116305?
You can request a quote for A2738/0116305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2738/0116305?
Yes, KEHONG BIO provides custom synthesis services for A2738/0116305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.