RefChem:321534
TL;DR: RefChem:321534 (CAS 82935-30-6) is a chemical compound with molecular formula C18H28BrClN2O3 and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride
Also Known As: (S)-(-)-2-((3-Bromo-2,6-diethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride, (S)-(-)-3-Bromo-2,6-diethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride, Benzamide, 3-bromo-2,6-diethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, monohydrochloride, (S)-(-)-, (S)-3-Bromo-2,6-diethoxy-N-((1-ethylpyrrolidin-2-yl)methyl)benzamide hydrochloride, 3-bromo-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride
| Molecular Formula | C18H28BrClN2O3 |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | -0.95 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.09717 |
| Heavy Atoms | 25 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 82935-30-6 |
|---|---|
| SMILES | CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OCC)Br)OCC.[Cl-] |
| InChIKey | SDFPILKXAAHRFN-ZOWNYOTGSA-N |
Product Overview
RefChem:321534 (CAS 82935-30-6), with molecular formula C18H28BrClN2O3 and molecular weight 434.10 g/mol. IUPAC: 3-bromo-2,6-diethoxy-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide chloride.
Chemical Property Profile of RefChem:321534
Property Insights of RefChem:321534
The XLogP value of -0.95 indicates that RefChem:321534 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:321534 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:321534 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:321534?
The CAS number of RefChem:321534 is 82935-30-6.
What is the molecular formula of RefChem:321534?
The molecular formula of RefChem:321534 is C18H28BrClN2O3.
What is the molecular weight of RefChem:321534?
The molecular weight of RefChem:321534 is 434.10 g/mol.
Where can I buy RefChem:321534?
You can request a quote for RefChem:321534 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321534?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321534 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.