RefChem:1080829
TL;DR: RefChem:1080829 (CAS 42438-05-1) is a chemical compound with molecular formula C17H27ClN2O3 and molecular weight 342.17 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-propoxyphenyl)carbamate chloride
Also Known As: (3-Propoxyphenyl)carbamic acid 1-methyl-2-(1-pyrrolidinyl)ethyl ester hydrochloride, Carbamic acid, (3-propoxyphenyl)-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, monohydrochloride, 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate chloride, Carbanilic acid, m-propoxy-, 1-methyl-2-(1-pyrrolidinyl)ethyl ester, hydrochloride, CARBAMIC ACID, (3-PROPOXYPHENYL)-, 1-METHYL-2-(1-PYRROLIDINYL)ETHYL ESTER, MONOH
| Molecular Formula | C17H27ClN2O3 |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.17102 |
| Heavy Atoms | 23 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 42438-05-1 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCC2.[Cl-] |
| InChIKey | WYKQCOKVGDUHQS-UHFFFAOYSA-N |
Product Overview
RefChem:1080829 (CAS 42438-05-1), with molecular formula C17H27ClN2O3 and molecular weight 342.17 g/mol. IUPAC: 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-propoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1080829
Property Insights of RefChem:1080829
The XLogP value of -0.9 indicates that RefChem:1080829 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:1080829 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1080829 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:1080829?
The CAS number of RefChem:1080829 is 42438-05-1.
What is the molecular formula of RefChem:1080829?
The molecular formula of RefChem:1080829 is C17H27ClN2O3.
What is the molecular weight of RefChem:1080829?
The molecular weight of RefChem:1080829 is 342.17 g/mol.
Where can I buy RefChem:1080829?
You can request a quote for RefChem:1080829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080829?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.