C19H33N2.Cl.H2O
TL;DR: C19H33N2.Cl.H2O (CAS 64058-31-7) is a chemical compound with molecular formula C19H33ClN2 and molecular weight 324.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(azocan-1-ium-1-ylidene)penta-1,3-dienyl]azocane chloride
Also Known As: 1-[5-(Azocan-1-yl)penta-2,4-dien-1-ylidene]azocan-1-ium chloride, 1-(5-Heptahydroazocino-2,4-pentadienylidene)heptahydroazocinium chloride hydrate, Azocinium, heptahydro-1-(5-heptahydroazocino-2,4-pentadienylidene)-, chloride, hydrate, Azocinium, 1-[5-(hexahydro-1(2H)-azocinyl)-2,4-pentadienylidene]octahydro-, chloride, monohydrate, C19H33N2.Cl.H2O
| Molecular Formula | C19H33ClN2 |
|---|---|
| Molecular Weight | 324.23 g/mol |
| LogP | 1.37 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.23322 |
| Heavy Atoms | 22 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 64058-31-7 |
|---|---|
| SMILES | C1CCCN(CCC1)C=CC=CC=[N+]2CCCCCCC2.[Cl-] |
| InChIKey | UVJDTSQDYNCCLT-UHFFFAOYSA-M |
Product Overview
C19H33N2.Cl.H2O (CAS 64058-31-7), with molecular formula C19H33ClN2 and molecular weight 324.23 g/mol. IUPAC: 1-[5-(azocan-1-ium-1-ylidene)penta-1,3-dienyl]azocane chloride.
Chemical Property Profile of C19H33N2.Cl.H2O
Property Insights of C19H33N2.Cl.H2O
The XLogP value of 1.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H33N2.Cl.H2O. With a topological polar surface area (TPSA) of 6.3 Ų, C19H33N2.Cl.H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H33N2.Cl.H2O 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 C19H33N2.Cl.H2O?
The CAS number of C19H33N2.Cl.H2O is 64058-31-7.
What is the molecular formula of C19H33N2.Cl.H2O?
The molecular formula of C19H33N2.Cl.H2O is C19H33ClN2.
What is the molecular weight of C19H33N2.Cl.H2O?
The molecular weight of C19H33N2.Cl.H2O is 324.23 g/mol.
Where can I buy C19H33N2.Cl.H2O?
You can request a quote for C19H33N2.Cl.H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H33N2.Cl.H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H33N2.Cl.H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.