LOX-IN-3
TL;DR: LOX-IN-3 (CAS 2409963-83-1) is a chemical compound with molecular formula C21H16Cl2N2O4S and molecular weight 462.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorobenzoyl)amino]-5-[(3-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: LOX-IN-3, BAS 02496884, Methyl 2-(4-chlorobenzamido)-5-((3-chlorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate, Methyl2-(4-chlorobenzamido)-5-((3-chlorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate, 2-(4-Chloro-benzoylamino)-5-(3-chloro-phenylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester
| Molecular Formula | C21H16Cl2N2O4S |
|---|---|
| Molecular Weight | 462.02 g/mol |
| LogP | 5.65452 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.02078 |
| Heavy Atoms | 30 |
| Complexity | 1126.535 |
Chemical Identifiers
| CAS Number | 2409963-83-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)Cl |
Product Overview
LOX-IN-3 (CAS 2409963-83-1), with molecular formula C21H16Cl2N2O4S and molecular weight 462.02 g/mol. IUPAC: methyl 2-[(4-chlorobenzoyl)amino]-5-[(3-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of LOX-IN-3
Property Insights of LOX-IN-3
The XLogP value of 5.65452 indicates that LOX-IN-3 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 LOX-IN-3. Following Lipinski's Rule of Five, LOX-IN-3 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 LOX-IN-3?
The CAS number of LOX-IN-3 is 2409963-83-1.
What is the molecular formula of LOX-IN-3?
The molecular formula of LOX-IN-3 is C21H16Cl2N2O4S.
What is the molecular weight of LOX-IN-3?
The molecular weight of LOX-IN-3 is 462.02 g/mol.
Where can I buy LOX-IN-3?
You can request a quote for LOX-IN-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LOX-IN-3?
Yes, KEHONG BIO provides custom synthesis services for LOX-IN-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.