一叶萩碱
TL;DR: 一叶萩碱 (CAS 5610-40-2) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
一叶萩碱
(1S,2R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Also Known As: Securinine, Securinin, Virosecurinine, Securinina, Securininum
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 5610-40-2 |
|---|---|
| SMILES | C1CCN2[C@H](C1)[C@]34CC2C=CC3=CC(=O)O4 |
| InChIKey | SWZMSZQQJRKFBP-ZNVNOEFISA-N |
Product Overview
一叶萩碱 (CAS 5610-40-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: (1S,2R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one.
Chemical Property Profile of 一叶萩碱
Property Insights of 一叶萩碱
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 一叶萩碱. With a topological polar surface area (TPSA) of 29.5 Ų, 一叶萩碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 一叶萩碱 has 0 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 一叶萩碱?
The CAS number of 一叶萩碱 is 5610-40-2.
What is the molecular formula of 一叶萩碱?
The molecular formula of 一叶萩碱 is C13H15NO2.
What is the molecular weight of 一叶萩碱?
The molecular weight of 一叶萩碱 is 217.11 g/mol.
Where can I buy 一叶萩碱?
You can request a quote for 一叶萩碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 一叶萩碱?
Yes, KEHONG BIO provides custom synthesis services for 一叶萩碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.