RefChem:1090987
TL;DR: RefChem:1090987 (CAS 77966-40-6) is a chemical compound with molecular formula C15H22Cl2N2O and molecular weight 316.11 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]-cyclohexylazanium chloride
Also Known As: 6'-Chloro-2-(cyclohexylamino)-o-acetotoluidide, hydrochloride, [2-(2-chloro-6-methylanilino)-2-oxoethyl]-cyclohexylazanium chloride, o-ACETOTOLUIDIDE, 6'-CHLORO-2-(CYCLOHEXYLAMINO)-, HYDROCHLORIDE, Acetamide, N-(2-chloro-6-methylphenyl)-2-(cyclohexylamino)-, monohydrochloride, N-(2-Chloro-6-methylphenyl)-2-(cyclohexylamino)ethanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C15H22Cl2N2O |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.11093 |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 77966-40-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C[NH2+]C2CCCCC2.[Cl-] |
| InChIKey | QSKIPSDWIWHXFN-UHFFFAOYSA-N |
Product Overview
RefChem:1090987 (CAS 77966-40-6), with molecular formula C15H22Cl2N2O and molecular weight 316.11 g/mol. IUPAC: [2-(2-chloro-6-methylanilino)-2-oxoethyl]-cyclohexylazanium chloride.
Chemical Property Profile of RefChem:1090987
Property Insights of RefChem:1090987
The XLogP value of -0.51 indicates that RefChem:1090987 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:1090987 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090987 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:1090987?
The CAS number of RefChem:1090987 is 77966-40-6.
What is the molecular formula of RefChem:1090987?
The molecular formula of RefChem:1090987 is C15H22Cl2N2O.
What is the molecular weight of RefChem:1090987?
The molecular weight of RefChem:1090987 is 316.11 g/mol.
Where can I buy RefChem:1090987?
You can request a quote for RefChem:1090987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090987?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.