RefChem:1077964
TL;DR: RefChem:1077964 (CAS 82935-24-8) is a chemical compound with molecular formula C16H24BrClN2O3 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,6-dimethoxybenzamide chloride
Also Known As: 2-((3-Bromo-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride, Benzamide, 3-bromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, monohydrochloride, 3-Bromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride, 3-Bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide hydrochloride (1:1), 3-bromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,6-dimethoxybenzamide chloride
| Molecular Formula | C16H24BrClN2O3 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | -1.73 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.0659 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 82935-24-8 |
|---|---|
| SMILES | CC[NH+]1CCCC1CNC(=O)C2=C(C=CC(=C2OC)Br)OC.[Cl-] |
| InChIKey | WCPXLMIPGMFZMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1077964 (CAS 82935-24-8), with molecular formula C16H24BrClN2O3 and molecular weight 406.07 g/mol. IUPAC: 3-bromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,6-dimethoxybenzamide chloride.
Chemical Property Profile of RefChem:1077964
Property Insights of RefChem:1077964
The XLogP value of -1.73 indicates that RefChem:1077964 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:1077964 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1077964 has 2 hydrogen bond donor(s) and 4 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:1077964?
The CAS number of RefChem:1077964 is 82935-24-8.
What is the molecular formula of RefChem:1077964?
The molecular formula of RefChem:1077964 is C16H24BrClN2O3.
What is the molecular weight of RefChem:1077964?
The molecular weight of RefChem:1077964 is 406.07 g/mol.
Where can I buy RefChem:1077964?
You can request a quote for RefChem:1077964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077964?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.