RefChem:1057030
TL;DR: RefChem:1057030 (CAS 105405-72-9) 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.
(1-propylpiperidin-1-ium-4-yl) N-(3-butoxyphenyl)carbamate chloride
Also Known As: 1-Propyl-4-piperidyl m-butoxycarbanilate hydrochloride, m-Butoxycarbanilic acid 1-propyl-4-piperidyl ester hydrochloride, Carbamic acid, (3-butoxyphenyl)-, 1-propyl-4-piperidinyl ester, monohydrochloride, CARBANILIC ACID, m-BUTOXY-, 1-PROPYL-4-PIPERIDYL ESTER, HYDROCHLORIDE, (1-propylpiperidin-1-ium-4-yl) N-(3-butoxyphenyl)carbamate chloride
| Molecular Formula | C19H31ClN2O3 |
|---|---|
| Molecular Weight | 370.20 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.20233 |
| Heavy Atoms | 25 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 105405-72-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)NC(=O)OC2CC[NH+](CC2)CCC.[Cl-] |
| InChIKey | BXHSHEYQCBMHKJ-UHFFFAOYSA-N |
Product Overview
RefChem:1057030 (CAS 105405-72-9), with molecular formula C19H31ClN2O3 and molecular weight 370.20 g/mol. IUPAC: (1-propylpiperidin-1-ium-4-yl) N-(3-butoxyphenyl)carbamate chloride.
Chemical Property Profile of RefChem:1057030
Property Insights of RefChem:1057030
The XLogP value of -0.12 indicates that RefChem:1057030 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:1057030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057030 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:1057030?
The CAS number of RefChem:1057030 is 105405-72-9.
What is the molecular formula of RefChem:1057030?
The molecular formula of RefChem:1057030 is C19H31ClN2O3.
What is the molecular weight of RefChem:1057030?
The molecular weight of RefChem:1057030 is 370.20 g/mol.
Where can I buy RefChem:1057030?
You can request a quote for RefChem:1057030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057030?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.