金雀儿碱
TL;DR: 金雀儿碱 (CAS 485-35-8) is a chemical compound with molecular formula C11H14N2O and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
金雀儿碱
(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: CYTISINE, Baptitoxine, Sophorine, Cytisinicline, Baptitoxin
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.11061 |
| Heavy Atoms | 14 |
| Complexity | 332.0 |
| Melting Point | 152-153 |
| Boiling Point | 218 |
| Solubility | Soluble in 13 parts acetone, 1.3 parts methanol, 3.5 parts alcohol, 30 parts benzene, 10 parts ethyl acetone, 2.0 parts chloroform; practically insoluble in petroleum ether |
Chemical Identifiers
| CAS Number | 485-35-8 |
|---|---|
| SMILES | C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2 |
| InChIKey | ANJTVLIZGCUXLD-DTWKUNHWSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
金雀儿碱 (CAS 485-35-8), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of 金雀儿碱
Property Insights of 金雀儿碱
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 金雀儿碱. With a topological polar surface area (TPSA) of 32.3 Ų, 金雀儿碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 金雀儿碱 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 金雀儿碱?
The CAS number of 金雀儿碱 is 485-35-8.
What is the molecular formula of 金雀儿碱?
The molecular formula of 金雀儿碱 is C11H14N2O.
What is the molecular weight of 金雀儿碱?
The molecular weight of 金雀儿碱 is 190.11 g/mol.
Where can I buy 金雀儿碱?
You can request a quote for 金雀儿碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 金雀儿碱?
Yes, KEHONG BIO provides custom synthesis services for 金雀儿碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.