RefChem:1090998
TL;DR: RefChem:1090998 (CAS 77966-68-8) is a chemical compound with molecular formula C12H18Cl2N2O and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-propylazanium chloride
Also Known As: 2'-Chloro-6'-methyl-2-(propylamino)acetanilide, hydrochloride, 6'-Chloro-2-(propylamino)-o-acetotoluidide, hydrochloride, [2-(2-chloro-6-methylanilino)-2-oxoethyl]-propylazanium chloride, o-ACETOTOLUIDIDE, 6'-CHLORO-2-(PROPYLAMINO)-, HYDROCHLORIDE, Acetamide, N-(2-chloro-6-methylphenyl)-2-(propylamino)-, monohydrochloride
| Molecular Formula | C12H18Cl2N2O |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | -1.44 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.07962 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 77966-68-8 |
|---|---|
| SMILES | CCC[NH2+]CC(=O)NC1=C(C=CC=C1Cl)C.[Cl-] |
| InChIKey | XFAWLFXEZYTGNJ-UHFFFAOYSA-N |
Product Overview
RefChem:1090998 (CAS 77966-68-8), with molecular formula C12H18Cl2N2O and molecular weight 276.08 g/mol. IUPAC: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-propylazanium chloride.
Chemical Property Profile of RefChem:1090998
Property Insights of RefChem:1090998
The XLogP value of -1.44 indicates that RefChem:1090998 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.7 Ų, RefChem:1090998 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090998 has 2 hydrogen bond donor(s) and 2 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 RefChem:1090998?
The CAS number of RefChem:1090998 is 77966-68-8.
What is the molecular formula of RefChem:1090998?
The molecular formula of RefChem:1090998 is C12H18Cl2N2O.
What is the molecular weight of RefChem:1090998?
The molecular weight of RefChem:1090998 is 276.08 g/mol.
Where can I buy RefChem:1090998?
You can request a quote for RefChem:1090998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.