RefChem:1062013
TL;DR: RefChem:1062013 (CAS 55792-14-8) is a chemical compound with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ium-1-ylethyl N-(3-butoxyphenyl)carbamate chloride
Also Known As: (3-Butoxyphenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride, 2-piperidin-1-ium-1-ylethyl N-(3-butoxyphenyl)carbamate chloride, Carbamic acid, (3-butoxyphenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochloride, 2-(Piperidin-1-yl)ethyl hydrogen (3-butoxyphenyl)carbonimidate--hydrogen chloride (1/1), RefChem:1062013
| Molecular Formula | C18H29ClN2O3 |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 356.18668 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 55792-14-8 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | UVUJBVNWETZJHV-UHFFFAOYSA-N |
Product Overview
RefChem:1062013 (CAS 55792-14-8), with molecular formula C18H29ClN2O3 and molecular weight 356.19 g/mol. IUPAC: 2-piperidin-1-ium-1-ylethyl N-(3-butoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1062013
Property Insights of RefChem:1062013
The XLogP value of -0.51 indicates that RefChem:1062013 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:1062013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1062013 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:1062013?
The CAS number of RefChem:1062013 is 55792-14-8.
What is the molecular formula of RefChem:1062013?
The molecular formula of RefChem:1062013 is C18H29ClN2O3.
What is the molecular weight of RefChem:1062013?
The molecular weight of RefChem:1062013 is 356.19 g/mol.
Where can I buy RefChem:1062013?
You can request a quote for RefChem:1062013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062013?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.