2-Chloro-1-(2,4-diaminophenyl)ethanone
TL;DR: 2-Chloro-1-(2,4-diaminophenyl)ethanone (CAS 163595-54-8) is a chemical compound with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2,4-diaminophenyl)ethanone
Also Known As: 2-chloro-1-(2,4-diaminophenyl)ethanone, Ethanone, 2-chloro-1-(2,4-diaminophenyl)- (9CI), 2-CHLORO-1-(2,4-DIAMINOPHENYL)-ETHANONE, 2-Chloro-1-(2,4-diaminophenyl)ethan-1-one, ETHANONE, 2-CHLORO-1-(2,4-DIAMINOPHENYL)-
| Molecular Formula | C8H9ClN2O |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 1.2725 |
| Topological Polar Surface Area | 69.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04034 |
| Heavy Atoms | 12 |
| Complexity | 311.9262 |
Chemical Identifiers
| CAS Number | 163595-54-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)N)C(=O)CCl |
Product Overview
2-Chloro-1-(2,4-diaminophenyl)ethanone (CAS 163595-54-8), with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol. IUPAC: 2-chloro-1-(2,4-diaminophenyl)ethanone.
Chemical Property Profile of 2-Chloro-1-(2,4-diaminophenyl)ethanone
Property Insights of 2-Chloro-1-(2,4-diaminophenyl)ethanone
The XLogP value of 1.2725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(2,4-diaminophenyl)ethanone. The TPSA of 69.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-1-(2,4-diaminophenyl)ethanone. Following Lipinski's Rule of Five, 2-Chloro-1-(2,4-diaminophenyl)ethanone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-(2,4-diaminophenyl)ethanone?
The CAS number of 2-Chloro-1-(2,4-diaminophenyl)ethanone is 163595-54-8.
What is the molecular formula of 2-Chloro-1-(2,4-diaminophenyl)ethanone?
The molecular formula of 2-Chloro-1-(2,4-diaminophenyl)ethanone is C8H9ClN2O.
What is the molecular weight of 2-Chloro-1-(2,4-diaminophenyl)ethanone?
The molecular weight of 2-Chloro-1-(2,4-diaminophenyl)ethanone is 184.04 g/mol.
Where can I buy 2-Chloro-1-(2,4-diaminophenyl)ethanone?
You can request a quote for 2-Chloro-1-(2,4-diaminophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2,4-diaminophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,4-diaminophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.