奥克替林
TL;DR: 奥克替林 (CAS 47166-67-6) is a chemical compound with molecular formula C20H21N and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥克替林
N-methyl-3-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)propan-1-amine
Also Known As: OCTRIPTYLINE, Octriptilina, Octriptyline [INN], BUTYLUNDECYLENATE, N-methyl-3-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)propan-1-amine
| Molecular Formula | C20H21N |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.1674 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 47166-67-6 |
|---|---|
| SMILES | CNCCC=C1C2=CC=CC=C2C3CC3C4=CC=CC=C41 |
| InChIKey | MILRTYCRJIRPKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥克替林 (CAS 47166-67-6), with molecular formula C20H21N and molecular weight 275.17 g/mol. IUPAC: N-methyl-3-(11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)propan-1-amine.
Chemical Property Profile of 奥克替林
Property Insights of 奥克替林
The XLogP value of 3.8 indicates that 奥克替林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 奥克替林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥克替林 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 奥克替林?
The CAS number of 奥克替林 is 47166-67-6.
What is the molecular formula of 奥克替林?
The molecular formula of 奥克替林 is C20H21N.
What is the molecular weight of 奥克替林?
The molecular weight of 奥克替林 is 275.17 g/mol.
Where can I buy 奥克替林?
You can request a quote for 奥克替林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥克替林?
Yes, KEHONG BIO provides custom synthesis services for 奥克替林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.