ChemDiv1_004152
TL;DR: ChemDiv1_004152 (CAS 312698-21-8) is a chemical compound with molecular formula C25H25ClN2O6S and molecular weight 516.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_004152, BIM-0005955.P001, A2439/0103375, ETHYL 2-[2-(4-CHLOROPHENYL)ACETAMIDO]-5-[(2,4-DIMETHOXYPHENYL)CARBAMOYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(2-(4-chlorophenyl)acetamido)-5-((2,4-dimethoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C25H25ClN2O6S |
|---|---|
| Molecular Weight | 516.11 g/mol |
| LogP | 5.33732 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.1122 |
| Heavy Atoms | 35 |
| Complexity | 1239.4991 |
Chemical Identifiers
| CAS Number | 312698-21-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)OC)OC)NC(=O)CC3=CC=C(C=C3)Cl |
Product Overview
ChemDiv1_004152 (CAS 312698-21-8), with molecular formula C25H25ClN2O6S and molecular weight 516.11 g/mol. IUPAC: ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-5-[(2,4-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_004152
Property Insights of ChemDiv1_004152
The XLogP value of 5.33732 indicates that ChemDiv1_004152 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004152. Following Lipinski's Rule of Five, ChemDiv1_004152 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_004152?
The CAS number of ChemDiv1_004152 is 312698-21-8.
What is the molecular formula of ChemDiv1_004152?
The molecular formula of ChemDiv1_004152 is C25H25ClN2O6S.
What is the molecular weight of ChemDiv1_004152?
The molecular weight of ChemDiv1_004152 is 516.11 g/mol.
Where can I buy ChemDiv1_004152?
You can request a quote for ChemDiv1_004152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004152?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.