RefChem:332012
TL;DR: RefChem:332012 (CAS 41017-73-6) is a chemical compound with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride
Also Known As: (3-(Hexyloxy)phenyl)carbamic acid 1-methyl-2-(1-pyrrolidinyl)ethyl ester hydrochloride, 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride, Carbamic acid, (3-(hexyloxy)phenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochloride, Carbanilic acid, m-hexyloxy-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, hydrochloride, CARBAMIC ACID, (3-(HEXYLOXY)PHENYL)-, 1-METHYL-2-(1-PYRROLIDINYL)ETHYL ESTER, MO
| Molecular Formula | C20H33ClN2O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 384.21796 |
| Heavy Atoms | 26 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 41017-73-6 |
|---|---|
| SMILES | CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCC2.[Cl-] |
| InChIKey | XFNXCTVHZNSRNM-UHFFFAOYSA-N |
Product Overview
RefChem:332012 (CAS 41017-73-6), with molecular formula C20H33ClN2O3 and molecular weight 384.22 g/mol. IUPAC: 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:332012
Property Insights of RefChem:332012
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:332012. With a topological polar surface area (TPSA) of 52.0 Ų, RefChem:332012 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:332012 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:332012?
The CAS number of RefChem:332012 is 41017-73-6.
What is the molecular formula of RefChem:332012?
The molecular formula of RefChem:332012 is C20H33ClN2O3.
What is the molecular weight of RefChem:332012?
The molecular weight of RefChem:332012 is 384.22 g/mol.
Where can I buy RefChem:332012?
You can request a quote for RefChem:332012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332012?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.