RefChem:342316
TL;DR: RefChem:342316 (CAS 299920-91-5) is a chemical compound with molecular formula C23H20ClN3O7S and molecular weight 517.07 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-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_002985, BAS 01404238, Ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[[(4-methoxyphenyl)amino]carbonyl]-4-methyl-3-thiophenecarboxylate, A2164/0090897, ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
| Molecular Formula | C23H20ClN3O7S |
|---|---|
| Molecular Weight | 517.07 g/mol |
| LogP | 5.30802 |
| Topological Polar Surface Area | 136.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.07104 |
| Heavy Atoms | 35 |
| Complexity | 1305.189 |
Chemical Identifiers
| CAS Number | 299920-91-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
RefChem:342316 (CAS 299920-91-5), with molecular formula C23H20ClN3O7S and molecular weight 517.07 g/mol. IUPAC: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of RefChem:342316
Property Insights of RefChem:342316
The XLogP value of 5.30802 indicates that RefChem:342316 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:342316. Following Lipinski's Rule of Five, RefChem:342316 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:342316?
The CAS number of RefChem:342316 is 299920-91-5.
What is the molecular formula of RefChem:342316?
The molecular formula of RefChem:342316 is C23H20ClN3O7S.
What is the molecular weight of RefChem:342316?
The molecular weight of RefChem:342316 is 517.07 g/mol.
Where can I buy RefChem:342316?
You can request a quote for RefChem:342316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:342316?
Yes, KEHONG BIO provides custom synthesis services for RefChem:342316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.