RefChem:1096321
TL;DR: RefChem:1096321 (CAS 62988-45-8) is a chemical compound with molecular formula C19H27Cl2NO2 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(3-(o-Chlorobenzyl)-2-butenyl)-1-(methoxycarbonylmethyl)piperidinium chloride, Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, methyl ester, methyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[4-(2-chlorophenyl)-3-methyl-2-butenyl]-1-(2-methoxy-2-oxoethyl)-, chloride, RefChem:1096321
| Molecular Formula | C19H27Cl2NO2 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 1.0065 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.14188 |
| Heavy Atoms | 24 |
| Complexity | 566.2402 |
Chemical Identifiers
| CAS Number | 62988-45-8 |
|---|---|
| SMILES | C/C(=C\C[N+]1(CCCCC1)CC(=O)OC)/CC2=CC=CC=C2Cl.[Cl-] |
Product Overview
RefChem:1096321 (CAS 62988-45-8), with molecular formula C19H27Cl2NO2 and molecular weight 371.14 g/mol. IUPAC: methyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096321
Property Insights of RefChem:1096321
The XLogP value of 1.0065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096321. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1096321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096321 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:1096321?
The CAS number of RefChem:1096321 is 62988-45-8.
What is the molecular formula of RefChem:1096321?
The molecular formula of RefChem:1096321 is C19H27Cl2NO2.
What is the molecular weight of RefChem:1096321?
The molecular weight of RefChem:1096321 is 371.14 g/mol.
Where can I buy RefChem:1096321?
You can request a quote for RefChem:1096321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096321?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.