ChemDiv1_008958
TL;DR: ChemDiv1_008958 (CAS 332905-69-8) is a chemical compound with molecular formula C24H22ClN3O6S and molecular weight 515.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_008958, BAS 01547571, ethyl 5-((3-chloro-2-methylphenyl)carbamoyl)-4-methyl-2-(4-methyl-3-nitrobenzamido)thiophene-3-carboxylate, ETHYL 5-[(3-CHLORO-2-METHYLPHENYL)CARBAMOYL]-4-METHYL-2-(4-METHYL-3-NITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE, ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
| Molecular Formula | C24H22ClN3O6S |
|---|---|
| Molecular Weight | 515.09 g/mol |
| LogP | 5.91626 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.0918 |
| Heavy Atoms | 35 |
| Complexity | 1351.2677 |
Chemical Identifiers
| CAS Number | 332905-69-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C(=CC=C2)Cl)C)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] |
Product Overview
ChemDiv1_008958 (CAS 332905-69-8), with molecular formula C24H22ClN3O6S and molecular weight 515.09 g/mol. IUPAC: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_008958
Property Insights of ChemDiv1_008958
The XLogP value of 5.91626 indicates that ChemDiv1_008958 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_008958. Following Lipinski's Rule of Five, ChemDiv1_008958 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_008958?
The CAS number of ChemDiv1_008958 is 332905-69-8.
What is the molecular formula of ChemDiv1_008958?
The molecular formula of ChemDiv1_008958 is C24H22ClN3O6S.
What is the molecular weight of ChemDiv1_008958?
The molecular weight of ChemDiv1_008958 is 515.09 g/mol.
Where can I buy ChemDiv1_008958?
You can request a quote for ChemDiv1_008958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008958?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.