RefChem:1049291
TL;DR: RefChem:1049291 (CAS 101931-95-7) is a chemical compound with molecular formula C20H30ClNO3 and molecular weight 367.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl)methyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
Also Known As: (1-Methyl-3-piperidyl)methyl(1-hydroxycyclopentyl)phenylacetate hydrochloride, Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 1-methyl-4-piperidylmethyl ester, hydrochloride, (1-Methylpiperidin-4-yl)methyl (1-hydroxycyclopentyl)(phenyl)acetate--hydrogen chloride (1/1), (1-methylpiperidin-4-yl)methyl 2-(1-hydroxycyclopentyl)-2-phenylacetate hydrochloride, RefChem:1049291
| Molecular Formula | C20H30ClNO3 |
|---|---|
| Molecular Weight | 367.19 g/mol |
| LogP | 3.3821 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.1914 |
| Heavy Atoms | 25 |
| Complexity | 537.1321 |
Chemical Identifiers
| CAS Number | 101931-95-7 |
|---|---|
| SMILES | CN1CCC(CC1)COC(=O)C(C2=CC=CC=C2)C3(CCCC3)O.Cl |
Product Overview
RefChem:1049291 (CAS 101931-95-7), with molecular formula C20H30ClNO3 and molecular weight 367.19 g/mol. IUPAC: (1-methylpiperidin-4-yl)methyl 2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride.
Chemical Property Profile of RefChem:1049291
Property Insights of RefChem:1049291
The XLogP value of 3.3821 indicates that RefChem:1049291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, RefChem:1049291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049291 has 1 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:1049291?
The CAS number of RefChem:1049291 is 101931-95-7.
What is the molecular formula of RefChem:1049291?
The molecular formula of RefChem:1049291 is C20H30ClNO3.
What is the molecular weight of RefChem:1049291?
The molecular weight of RefChem:1049291 is 367.19 g/mol.
Where can I buy RefChem:1049291?
You can request a quote for RefChem:1049291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049291?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.