C13H17ClN2O.BrH
TL;DR: C13H17ClN2O.BrH (CAS 102489-60-1) is a chemical compound with molecular formula C13H18BrClN2O and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide bromide
Also Known As: 6'-Chloro-2-(1-pyrrolidinyl)-o-acetotoluidide hydrobromide, N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide bromide, o-ACETOTOLUIDIDE, 6'-CHLORO-2-(1-PYRROLIDINYL)-, HYDROBROMIDE, 1-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}pyrrolidinium bromide, N-(2-Chloro-6-methylphenyl)-2-(pyrrolidin-1-yl)ethanimidic acid--hydrogen bromide (1/1)
| Molecular Formula | C13H18BrClN2O |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | -1.73 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.0291 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 102489-60-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C[NH+]2CCCC2.[Br-] |
| InChIKey | NWMQTLFLRORVGE-UHFFFAOYSA-N |
Product Overview
C13H17ClN2O.BrH (CAS 102489-60-1), with molecular formula C13H18BrClN2O and molecular weight 332.03 g/mol. IUPAC: N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide bromide.
Chemical Property Profile of C13H17ClN2O.BrH
Property Insights of C13H17ClN2O.BrH
The XLogP value of -1.73 indicates that C13H17ClN2O.BrH 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, C13H17ClN2O.BrH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H17ClN2O.BrH 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 C13H17ClN2O.BrH?
The CAS number of C13H17ClN2O.BrH is 102489-60-1.
What is the molecular formula of C13H17ClN2O.BrH?
The molecular formula of C13H17ClN2O.BrH is C13H18BrClN2O.
What is the molecular weight of C13H17ClN2O.BrH?
The molecular weight of C13H17ClN2O.BrH is 332.03 g/mol.
Where can I buy C13H17ClN2O.BrH?
You can request a quote for C13H17ClN2O.BrH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H17ClN2O.BrH?
Yes, KEHONG BIO provides custom synthesis services for C13H17ClN2O.BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.