![1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride structure](/static/products/6405/64058-24-8.webp)
1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride
TL;DR: 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride (CAS 64058-24-8) 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.
1-[5-(azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride
Also Known As: C18H31N2.Cl.3/2H2O, C18-H31-N2.Cl.3/2H2-O, 1H-Azepinium, 1-[5-(hexahydro-1H-azepin-1-yl)-2-methyl-2,4-pentadienylidene]hexahydro-, chloride, sesquihydrate, 1H-Azepinium, hexahydro-1-(2-methyl-5-1H-hexahydroazepino-2,4-pentadienylidene)-, chloride, sesquihydrate
| Molecular Formula | C18H31ClN2 |
|---|---|
| Molecular Weight | 310.22 g/mol |
| LogP | 0.98 |
| 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 | 348.0 |
Chemical Identifiers
| CAS Number | 64058-24-8 |
|---|---|
| SMILES | CC(=CC=CN1CCCCCC1)C=[N+]2CCCCCC2.[Cl-] |
| InChIKey | DLCYDUCHUVPZDO-UHFFFAOYSA-M |
Product Overview
1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride (CAS 64058-24-8), with molecular formula C18H31ClN2 and molecular weight 310.22 g/mol. IUPAC: 1-[5-(azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride.
Chemical Property Profile of 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride
Property Insights of 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride
The XLogP value of 0.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride. With a topological polar surface area (TPSA) of 6.3 Ų, 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride 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 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride?
The CAS number of 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride is 64058-24-8.
What is the molecular formula of 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride?
The molecular formula of 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride is C18H31ClN2.
What is the molecular weight of 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride?
The molecular weight of 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride is 310.22 g/mol.
Where can I buy 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride?
You can request a quote for 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(Azepan-1-ium-1-ylidene)-4-methylpenta-1,3-dienyl]azepane chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.