ChemDiv1_003438
TL;DR: ChemDiv1_003438 (CAS 312595-86-1) is a chemical compound with molecular formula C22H17Cl2FN2O4S and molecular weight 494.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,4-dichlorobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003438, BIM-0042652.P001, ETHYL 2-(3,4-DICHLOROBENZAMIDO)-5-[(2-FLUOROPHENYL)CARBAMOYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(3,4-dichlorobenzamido)-5-((2-fluorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-[(3,4-dichlorobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H17Cl2FN2O4S |
|---|---|
| Molecular Weight | 494.03 g/mol |
| LogP | 6.18372 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.027 |
| Heavy Atoms | 32 |
| Complexity | 1212.6366 |
Chemical Identifiers
| CAS Number | 312595-86-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
ChemDiv1_003438 (CAS 312595-86-1), with molecular formula C22H17Cl2FN2O4S and molecular weight 494.03 g/mol. IUPAC: ethyl 2-[(3,4-dichlorobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003438
Property Insights of ChemDiv1_003438
The XLogP value of 6.18372 indicates that ChemDiv1_003438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003438. Following Lipinski's Rule of Five, ChemDiv1_003438 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003438?
The CAS number of ChemDiv1_003438 is 312595-86-1.
What is the molecular formula of ChemDiv1_003438?
The molecular formula of ChemDiv1_003438 is C22H17Cl2FN2O4S.
What is the molecular weight of ChemDiv1_003438?
The molecular weight of ChemDiv1_003438 is 494.03 g/mol.
Where can I buy ChemDiv1_003438?
You can request a quote for ChemDiv1_003438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003438?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.