RefChem:373444
TL;DR: RefChem:373444 (CAS 22966-88-7) is a chemical compound with molecular formula C18H31ClN2 and molecular weight 310.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride
Also Known As: Piperidinium, 1-(2-methyl-5-(3-methylpiperidino)-2,4-pentadienylidene)-3-methyl-, chloride, hydrate, (1e)-3-methyl-1-[2-methyl-5-(3-methylpiperidin-1-yl)penta-2,4-dien-1-ylidene]piperidiniumchloride, 3-methyl-1-[4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride, RefChem:373444
| Molecular Formula | C18H31ClN2 |
|---|---|
| Molecular Weight | 310.22 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.2176 |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 22966-88-7 |
|---|---|
| SMILES | CC1CCCN(C1)C=CC=C(C)C=[N+]2CCCC(C2)C.[Cl-] |
| InChIKey | VPAKVXXHZNTCFE-UHFFFAOYSA-M |
Product Overview
RefChem:373444 (CAS 22966-88-7), with molecular formula C18H31ClN2 and molecular weight 310.22 g/mol. IUPAC: 3-methyl-1-[4-methyl-5-(3-methylpiperidin-1-ium-1-ylidene)penta-1,3-dienyl]piperidine chloride.
Chemical Property Profile of RefChem:373444
Property Insights of RefChem:373444
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:373444. With a topological polar surface area (TPSA) of 6.3 Ų, RefChem:373444 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373444 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:373444?
The CAS number of RefChem:373444 is 22966-88-7.
What is the molecular formula of RefChem:373444?
The molecular formula of RefChem:373444 is C18H31ClN2.
What is the molecular weight of RefChem:373444?
The molecular weight of RefChem:373444 is 310.22 g/mol.
Where can I buy RefChem:373444?
You can request a quote for RefChem:373444 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373444?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.