依他佐辛
TL;DR: 依他佐辛 (CAS 72522-13-5) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依他佐辛
1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Also Known As: Eptazocine, Sorafenib tosylate, KST-1B8345, Methyl 2-(dimethylamino)nicotinate, 1,4-dimethyl-2,3,4,5,6,7-hexahydro-1h-1,6-methano-4-benzazonin-10-ol
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 72522-13-5 |
|---|---|
| SMILES | CC12CCN(CC(C1)CC3=C2C=C(C=C3)O)C |
| InChIKey | ZOWQTJXNFTWSCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依他佐辛 (CAS 72522-13-5), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol.
Chemical Property Profile of 依他佐辛
Property Insights of 依他佐辛
The XLogP value of 3.0 indicates that 依他佐辛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 依他佐辛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依他佐辛 has 1 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 依他佐辛?
The CAS number of 依他佐辛 is 72522-13-5.
What is the molecular formula of 依他佐辛?
The molecular formula of 依他佐辛 is C15H21NO.
What is the molecular weight of 依他佐辛?
The molecular weight of 依他佐辛 is 231.16 g/mol.
Where can I buy 依他佐辛?
You can request a quote for 依他佐辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依他佐辛?
Yes, KEHONG BIO provides custom synthesis services for 依他佐辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.