RefChem:378709
TL;DR: RefChem:378709 (CAS 63716-55-2) is a chemical compound with molecular formula C23H27ClN2O and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline;chloride;hydrate
Also Known As: Quinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolino)-2,4-pentadienylidene)-, chloride, hydrate, 1-[5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride hydrate, 1-[5-(3,4-Dihydroquinolin-1(2H)-yl)penta-2,4-dien-1-ylidene]-1,2,3,4-tetrahydroquinolin-1-ium chloride--water (1/1/1), RefChem:378709
| Molecular Formula | C23H27ClN2O |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 1.05 |
| Topological Polar Surface Area | 7.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.18118 |
| Heavy Atoms | 27 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 63716-55-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C=CC=CC=[N+]3CCCC4=CC=CC=C43.O.[Cl-] |
| InChIKey | QRDSMFNUWHJJLQ-UHFFFAOYSA-M |
Product Overview
RefChem:378709 (CAS 63716-55-2), with molecular formula C23H27ClN2O and molecular weight 382.18 g/mol. IUPAC: 1-[5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline;chloride;hydrate.
Chemical Property Profile of RefChem:378709
Property Insights of RefChem:378709
The XLogP value of 1.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:378709. With a topological polar surface area (TPSA) of 7.3 Ų, RefChem:378709 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378709 has 1 hydrogen bond donor(s) and 3 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:378709?
The CAS number of RefChem:378709 is 63716-55-2.
What is the molecular formula of RefChem:378709?
The molecular formula of RefChem:378709 is C23H27ClN2O.
What is the molecular weight of RefChem:378709?
The molecular weight of RefChem:378709 is 382.18 g/mol.
Where can I buy RefChem:378709?
You can request a quote for RefChem:378709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378709?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.