ChemDiv1_003482
TL;DR: ChemDiv1_003482 (CAS 312595-87-2) is a chemical compound with molecular formula C22H17ClFN3O6S and molecular weight 505.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003482, A2446/0103699, ETHYL 2-(4-CHLORO-3-NITROBENZAMIDO)-5-[(2-FLUOROPHENYL)CARBAMOYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-(4-chloro-3-nitrobenzamido)-5-((2-fluorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H17ClFN3O6S |
|---|---|
| Molecular Weight | 505.05 g/mol |
| LogP | 5.43852 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.05106 |
| Heavy Atoms | 34 |
| Complexity | 1309.7872 |
Chemical Identifiers
| CAS Number | 312595-87-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
ChemDiv1_003482 (CAS 312595-87-2), with molecular formula C22H17ClFN3O6S and molecular weight 505.05 g/mol. IUPAC: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003482
Property Insights of ChemDiv1_003482
The XLogP value of 5.43852 indicates that ChemDiv1_003482 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003482. Following Lipinski's Rule of Five, ChemDiv1_003482 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_003482?
The CAS number of ChemDiv1_003482 is 312595-87-2.
What is the molecular formula of ChemDiv1_003482?
The molecular formula of ChemDiv1_003482 is C22H17ClFN3O6S.
What is the molecular weight of ChemDiv1_003482?
The molecular weight of ChemDiv1_003482 is 505.05 g/mol.
Where can I buy ChemDiv1_003482?
You can request a quote for ChemDiv1_003482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003482?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.