RefChem:321538
TL;DR: RefChem:321538 (CAS 82977-51-3) is a chemical compound with molecular formula C16H24Cl2N2O3 and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxybenzamide chloride
Also Known As: (S)-(-)-2-((3-Chloro-2,6-dimethoxybenzamido)methyl)-1-ethylpyrrolidine hydrochloride, (S)-(-)-3-Chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)benzamide hydrochloride, Benzamide, 3-chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-, monohydrochloride, (S)-(-)-, 3-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxybenzamide chloride, (S)-3-Chloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamide hydrochloride
| Molecular Formula | C16H24Cl2N2O3 |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | -1.84 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.1164 |
| Heavy Atoms | 23 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 82977-51-3 |
|---|---|
| SMILES | CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2OC)Cl)OC.[Cl-] |
| InChIKey | PKSWACCSAIQAEJ-MERQFXBCSA-N |
Product Overview
RefChem:321538 (CAS 82977-51-3), with molecular formula C16H24Cl2N2O3 and molecular weight 362.12 g/mol. IUPAC: 3-chloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dimethoxybenzamide chloride.
Chemical Property Profile of RefChem:321538
Property Insights of RefChem:321538
The XLogP value of -1.84 indicates that RefChem:321538 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:321538 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:321538 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:321538?
The CAS number of RefChem:321538 is 82977-51-3.
What is the molecular formula of RefChem:321538?
The molecular formula of RefChem:321538 is C16H24Cl2N2O3.
What is the molecular weight of RefChem:321538?
The molecular weight of RefChem:321538 is 362.12 g/mol.
Where can I buy RefChem:321538?
You can request a quote for RefChem:321538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:321538?
Yes, KEHONG BIO provides custom synthesis services for RefChem:321538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.