RefChem:1082694
TL;DR: RefChem:1082694 (CAS 92956-70-2) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoate
Also Known As: NCI60_022732, 1-Methyl-4-piperidyl cyclopentyl(3-methyl-but-1-yn-3-enyl)glycolate, Cyclopentaneglycolic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 1-methyl-4-piperidyl ester, alpha-(3-Methylbut-1-yn-3-enyl)cyclohexaneglycolic acid 1-methyl-4-piperidyl ester, 1-Methyl-4-piperidinyl 2-cyclopentyl-2-hydroxy-5-methyl-5-hexen-3-ynoate
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 92956-70-2 |
|---|---|
| SMILES | CC(=C)C#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O |
| InChIKey | BMRYDVWUGRWEAY-UHFFFAOYSA-N |
Product Overview
RefChem:1082694 (CAS 92956-70-2), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoate.
Chemical Property Profile of RefChem:1082694
Property Insights of RefChem:1082694
The XLogP value of 3.6 indicates that RefChem:1082694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, RefChem:1082694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1082694 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:1082694?
The CAS number of RefChem:1082694 is 92956-70-2.
What is the molecular formula of RefChem:1082694?
The molecular formula of RefChem:1082694 is C18H27NO3.
What is the molecular weight of RefChem:1082694?
The molecular weight of RefChem:1082694 is 305.20 g/mol.
Where can I buy RefChem:1082694?
You can request a quote for RefChem:1082694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082694?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.