A2562/0109139
TL;DR: A2562/0109139 (CAS 385392-33-6) is a chemical compound with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methyl-5-phenylthiophene-3-carboxylate
Also Known As: A2562/0109139, ETHYL 2-(2-CHLORO-5-NITROBENZAMIDO)-4-METHYL-5-PHENYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methyl-5-phenylthiophene-3-carboxylate, ethyl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-4-methyl-5-phenylthiophene-3-carboxylate
| Molecular Formula | C21H17ClN2O5S |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 5.71412 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.05466 |
| Heavy Atoms | 30 |
| Complexity | 1127.9254 |
Chemical Identifiers
| CAS Number | 385392-33-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
A2562/0109139 (CAS 385392-33-6), with molecular formula C21H17ClN2O5S and molecular weight 444.05 g/mol. IUPAC: ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methyl-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of A2562/0109139
Property Insights of A2562/0109139
The XLogP value of 5.71412 indicates that A2562/0109139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for A2562/0109139. Following Lipinski's Rule of Five, A2562/0109139 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2562/0109139?
The CAS number of A2562/0109139 is 385392-33-6.
What is the molecular formula of A2562/0109139?
The molecular formula of A2562/0109139 is C21H17ClN2O5S.
What is the molecular weight of A2562/0109139?
The molecular weight of A2562/0109139 is 444.05 g/mol.
Where can I buy A2562/0109139?
You can request a quote for A2562/0109139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2562/0109139?
Yes, KEHONG BIO provides custom synthesis services for A2562/0109139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.