RefChem:1090996
TL;DR: RefChem:1090996 (CAS 77966-67-7) is a chemical compound with molecular formula C14H20Cl2N2O and molecular weight 302.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-6-methylphenyl)-2-piperidin-1-ium-1-ylacetamide chloride
Also Known As: 6'-Chloro-2-piperidino-o-acetotoluidide, hydrochloride, o-ACETOTOLUIDIDE, 6'-CHLORO-2-PIPERIDINO-, HYDROCHLORIDE, N-(2-chloro-6-methylphenyl)-2-piperidin-1-ium-1-ylacetamide chloride, 1-Piperidineacetamide, N-(2-chloro-6-methylphenyl)-, monohydrochloride, N-(2-Chloro-6-methylphenyl)-2-(piperidin-1-yl)ethanimidic acid--hydrogen chloride (1/1)
| Molecular Formula | C14H20Cl2N2O |
|---|---|
| Molecular Weight | 302.10 g/mol |
| LogP | -1.34 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.09528 |
| Heavy Atoms | 19 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 77966-67-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C[NH+]2CCCCC2.[Cl-] |
| InChIKey | DWPCCSCIPSZNOW-UHFFFAOYSA-N |
Product Overview
RefChem:1090996 (CAS 77966-67-7), with molecular formula C14H20Cl2N2O and molecular weight 302.10 g/mol. IUPAC: N-(2-chloro-6-methylphenyl)-2-piperidin-1-ium-1-ylacetamide chloride.
Chemical Property Profile of RefChem:1090996
Property Insights of RefChem:1090996
The XLogP value of -1.34 indicates that RefChem:1090996 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.5 Ų, RefChem:1090996 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090996 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:1090996?
The CAS number of RefChem:1090996 is 77966-67-7.
What is the molecular formula of RefChem:1090996?
The molecular formula of RefChem:1090996 is C14H20Cl2N2O.
What is the molecular weight of RefChem:1090996?
The molecular weight of RefChem:1090996 is 302.10 g/mol.
Where can I buy RefChem:1090996?
You can request a quote for RefChem:1090996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090996?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.