RefChem:236465
TL;DR: RefChem:236465 (CAS 72017-29-9) is a chemical compound with molecular formula C24H30ClN and molecular weight 367.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[2-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenylidene)ethyl]piperidin-1-ium chloride
Also Known As: 12H-Dibenzo(a,d)cyclooctene, 5,6,7-trihydro-12-(1-methyl-2-piperidyl)ethylidene-, hydrochloride, 12H-DIBENZO(a,d)CYCLOOCTENE, 5,6,7-TRIHYDRO-12-(1-METHYL-2-PIPERIDYL)ETHYLIDENE-, Piperidine, 2-[(11,12-dihydrodibenzo[a,d]cycloocten-5(10H)-ylidene)ethyl]-1-methyl-, hydrochloride, RefChem:236465
| Molecular Formula | C24H30ClN |
|---|---|
| Molecular Weight | 367.21 g/mol |
| LogP | 1.07 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.20667 |
| Heavy Atoms | 26 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 72017-29-9 |
|---|---|
| SMILES | C[NH+]1CCCCC1CC=C2C3=CC=CC=C3CCCC4=CC=CC=C42.[Cl-] |
| InChIKey | XDTNECULGFJNMZ-UHFFFAOYSA-N |
Product Overview
RefChem:236465 (CAS 72017-29-9), with molecular formula C24H30ClN and molecular weight 367.21 g/mol. IUPAC: 1-methyl-2-[2-(2-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenylidene)ethyl]piperidin-1-ium chloride.
Chemical Property Profile of RefChem:236465
Property Insights of RefChem:236465
The XLogP value of 1.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:236465. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:236465 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236465 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:236465?
The CAS number of RefChem:236465 is 72017-29-9.
What is the molecular formula of RefChem:236465?
The molecular formula of RefChem:236465 is C24H30ClN.
What is the molecular weight of RefChem:236465?
The molecular weight of RefChem:236465 is 367.21 g/mol.
Where can I buy RefChem:236465?
You can request a quote for RefChem:236465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236465?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.