1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride
TL;DR: 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride (CAS 965-39-9) is a chemical compound with molecular formula C15H23ClN2O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
Also Known As: Monothan, 3-Piperidino-1,2-propanediol 1-carbanilate hydrochloride, 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride, 2-hydroxy-3-(piperidin-1-yl)propyl phenylcarbamate hydrochloride(1:1), alpha,beta-Piperidinopropanediol, alpha-phenylcarbamate, hydrochloride
| Molecular Formula | C15H23ClN2O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.1397 |
| Heavy Atoms | 21 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 965-39-9 |
|---|---|
| SMILES | C1CCN(CC1)CC(COC(=O)NC2=CC=CC=C2)O.Cl |
| InChIKey | SNKNNAPOEZWYCH-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride (CAS 965-39-9), with molecular formula C15H23ClN2O3 and molecular weight 314.14 g/mol. IUPAC: (2-hydroxy-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride.
Chemical Property Profile of 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride
Property Insights of 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride has 3 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 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride?
The CAS number of 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride is 965-39-9.
What is the molecular formula of 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride?
The molecular formula of 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride is C15H23ClN2O3.
What is the molecular weight of 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride?
The molecular weight of 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride is 314.14 g/mol.
Where can I buy 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride?
You can request a quote for 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-piperidino-, 1-carbanilate, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.