RefChem:1087789
TL;DR: RefChem:1087789 (CAS 72017-52-8) is a chemical compound with molecular formula C23H25ClN2 and molecular weight 364.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1E,3E,5Z)-5-(3,4-dihydro-2H-isoquinolin-2-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride
Also Known As: Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)- 2,4-pentadienylidene)-, chloride, hydrate, Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)-2,4-pentadienylidene)-, chloride, hydrate, ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-1-(5-(1,2,3,4-TETRAHYDROQUINOLYL)-2,4-PENTADI, 1-[(1E,3E,5Z)-5-(3,4-dihydro-2H-isoquinolin-2-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride, Quinoline, 1-[5-(3,4-dihydro-1(2H)-isoquinolinylidene)-1,3-pentadienyl]-1,2,3,4-tetrahydro-, monohydrochloride, monohydrate
| Molecular Formula | C23H25ClN2 |
|---|---|
| Molecular Weight | 364.17 g/mol |
| LogP | 0.6737 |
| Topological Polar Surface Area | 19.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.17062 |
| Heavy Atoms | 26 |
| Complexity | 835.6064 |
Chemical Identifiers
| CAS Number | 72017-52-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)/C=C/C=C/C=C\3/C4=CC=CC=C4CC[NH2+]3.[Cl-] |
Product Overview
RefChem:1087789 (CAS 72017-52-8), with molecular formula C23H25ClN2 and molecular weight 364.17 g/mol. IUPAC: 1-[(1E,3E,5Z)-5-(3,4-dihydro-2H-isoquinolin-2-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride.
Chemical Property Profile of RefChem:1087789
Property Insights of RefChem:1087789
The XLogP value of 0.6737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1087789. With a topological polar surface area (TPSA) of 19.85 Ų, RefChem:1087789 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1087789 has 1 hydrogen bond donor(s) and 1 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:1087789?
The CAS number of RefChem:1087789 is 72017-52-8.
What is the molecular formula of RefChem:1087789?
The molecular formula of RefChem:1087789 is C23H25ClN2.
What is the molecular weight of RefChem:1087789?
The molecular weight of RefChem:1087789 is 364.17 g/mol.
Where can I buy RefChem:1087789?
You can request a quote for RefChem:1087789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.