RefChem:1077962
TL;DR: RefChem:1077962 (CAS 82952-65-6) is a chemical compound with molecular formula C16H23Br2ClN2O3 and molecular weight 483.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,6-dimethoxybenzamide chloride
Also Known As: 2-((3,5-Dibromo-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride, Benzamide, 3,5-dibromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, monohydrochloride, 3,5-Dibromo-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride, 3,5-dibromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,6-dimethoxybenzamide chloride, (S)-(-)-2-((3,5-Dibromo-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride
| Molecular Formula | C16H23Br2ClN2O3 |
|---|---|
| Molecular Weight | 483.98 g/mol |
| LogP | -0.97 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.97437 |
| Heavy Atoms | 24 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 82952-65-6 |
|---|---|
| SMILES | CC[NH+]1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Br)Br)OC.[Cl-] |
| InChIKey | HRXLYQNSAFLNEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1077962 (CAS 82952-65-6), with molecular formula C16H23Br2ClN2O3 and molecular weight 483.98 g/mol. IUPAC: 3,5-dibromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2,6-dimethoxybenzamide chloride.
Chemical Property Profile of RefChem:1077962
Property Insights of RefChem:1077962
The XLogP value of -0.97 indicates that RefChem:1077962 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:1077962 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1077962 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:1077962?
The CAS number of RefChem:1077962 is 82952-65-6.
What is the molecular formula of RefChem:1077962?
The molecular formula of RefChem:1077962 is C16H23Br2ClN2O3.
What is the molecular weight of RefChem:1077962?
The molecular weight of RefChem:1077962 is 483.98 g/mol.
Where can I buy RefChem:1077962?
You can request a quote for RefChem:1077962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077962?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.