ChemDiv1_002983
TL;DR: ChemDiv1_002983 (CAS 312586-18-8) is a chemical compound with molecular formula C25H23ClN2O6S and molecular weight 514.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorobenzoyl)amino]-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_002983, BAS 00745178, ethyl 2-[(4-chlorobenzoyl)amino]-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, ethyl 2-[(4-chlorobenzoyl)amino]-5-{[4-(ethoxycarbonyl)anilino]carbonyl}-4-methyl-3-thiophenecarboxylate, ethyl 2-(4-chlorobenzamido)-5-((4-(ethoxycarbonyl)phenyl)carbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C25H23ClN2O6S |
|---|---|
| Molecular Weight | 514.10 g/mol |
| LogP | 5.56792 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.09656 |
| Heavy Atoms | 35 |
| Complexity | 1252.2114 |
Chemical Identifiers
| CAS Number | 312586-18-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)OCC)C |
Product Overview
ChemDiv1_002983 (CAS 312586-18-8), with molecular formula C25H23ClN2O6S and molecular weight 514.10 g/mol. IUPAC: ethyl 2-[(4-chlorobenzoyl)amino]-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_002983
Property Insights of ChemDiv1_002983
The XLogP value of 5.56792 indicates that ChemDiv1_002983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002983. Following Lipinski's Rule of Five, ChemDiv1_002983 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002983?
The CAS number of ChemDiv1_002983 is 312586-18-8.
What is the molecular formula of ChemDiv1_002983?
The molecular formula of ChemDiv1_002983 is C25H23ClN2O6S.
What is the molecular weight of ChemDiv1_002983?
The molecular weight of ChemDiv1_002983 is 514.10 g/mol.
Where can I buy ChemDiv1_002983?
You can request a quote for ChemDiv1_002983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002983?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.