RefChem:1096291
TL;DR: RefChem:1096291 (CAS 62988-44-7) is a chemical compound with molecular formula C25H38ClNO2 and molecular weight 419.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylcyclohexyl) 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(3-Benzyl-2-butenyl)-1-(4-methylcyclohexyloxycarbonylmethyl)piperidinium chloride, Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, 4-methylcyclohexyl ester, (4-methylcyclohexyl) 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[2-[(4-methylcyclohexyl)oxy]-2-oxoethyl]-1-(3-methyl-4-phenyl-2-butenyl)-, chloride, RefChem:1096291
| Molecular Formula | C25H38ClNO2 |
|---|---|
| Molecular Weight | 419.26 g/mol |
| LogP | 2.302 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.2591 |
| Heavy Atoms | 29 |
| Complexity | 644.047 |
Chemical Identifiers
| CAS Number | 62988-44-7 |
|---|---|
| SMILES | CC1CCC(CC1)OC(=O)C[N+]2(CCCCC2)C/C=C(\C)/CC3=CC=CC=C3.[Cl-] |
Product Overview
RefChem:1096291 (CAS 62988-44-7), with molecular formula C25H38ClNO2 and molecular weight 419.26 g/mol. IUPAC: (4-methylcyclohexyl) 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096291
Property Insights of RefChem:1096291
The XLogP value of 2.302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096291. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1096291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096291 has 0 hydrogen bond donor(s) and 2 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:1096291?
The CAS number of RefChem:1096291 is 62988-44-7.
What is the molecular formula of RefChem:1096291?
The molecular formula of RefChem:1096291 is C25H38ClNO2.
What is the molecular weight of RefChem:1096291?
The molecular weight of RefChem:1096291 is 419.26 g/mol.
Where can I buy RefChem:1096291?
You can request a quote for RefChem:1096291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096291?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.