RefChem:332700
TL;DR: RefChem:332700 (CAS 100836-67-7) is a chemical compound with molecular formula C19H31ClN2O3 and molecular weight 370.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ium-1-ylethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate chloride
Also Known As: C 6005, Carbamic acid, N-methyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(pyrrolidinyl)ethyl ester, hydrochloride, N-Methyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(pyrrolidinyl)ethyl ester, HCl, 2-Pyrrolidin-1-ium-1-ylethyln-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate chloride, 2-pyrrolidin-1-ium-1-ylethylN-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate
| Molecular Formula | C19H31ClN2O3 |
|---|---|
| Molecular Weight | 370.20 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.20233 |
| Heavy Atoms | 25 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 100836-67-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(C)N(C)C(=O)OCC[NH+]2CCCC2)C.[Cl-] |
| InChIKey | PRWCKEIKPAGSCC-UHFFFAOYSA-N |
Product Overview
RefChem:332700 (CAS 100836-67-7), with molecular formula C19H31ClN2O3 and molecular weight 370.20 g/mol. IUPAC: 2-pyrrolidin-1-ium-1-ylethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate chloride.
Chemical Property Profile of RefChem:332700
Property Insights of RefChem:332700
The XLogP value of -1.18 indicates that RefChem:332700 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:332700 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332700 has 1 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:332700?
The CAS number of RefChem:332700 is 100836-67-7.
What is the molecular formula of RefChem:332700?
The molecular formula of RefChem:332700 is C19H31ClN2O3.
What is the molecular weight of RefChem:332700?
The molecular weight of RefChem:332700 is 370.20 g/mol.
Where can I buy RefChem:332700?
You can request a quote for RefChem:332700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332700?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.