钩吻碱
TL;DR: 钩吻碱 (CAS 509-15-9) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
钩吻碱
(2'S,3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
Also Known As: GELSEMINE
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 509-15-9 |
|---|---|
| SMILES | CN1C[C@]2(C3CC4[C@]5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C |
| InChIKey | NFYYATWFXNPTRM-KJWRJJNGSA-N |
Product Overview
钩吻碱 (CAS 509-15-9), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: (2'S,3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one.
Chemical Property Profile of 钩吻碱
Property Insights of 钩吻碱
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 钩吻碱. With a topological polar surface area (TPSA) of 41.6 Ų, 钩吻碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 钩吻碱 has 1 hydrogen bond donor(s) and 3 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 钩吻碱?
The CAS number of 钩吻碱 is 509-15-9.
What is the molecular formula of 钩吻碱?
The molecular formula of 钩吻碱 is C20H22N2O2.
What is the molecular weight of 钩吻碱?
The molecular weight of 钩吻碱 is 322.17 g/mol.
Where can I buy 钩吻碱?
You can request a quote for 钩吻碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 钩吻碱?
Yes, KEHONG BIO provides custom synthesis services for 钩吻碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.