![(2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one structure](/static/products/6704/6704-68-3.webp)
(2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
TL;DR: (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one (CAS 6704-68-3) 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.
(2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Also Known As: Virosecurinin, Virosecurinine, 2-alpha,7-alpha-Securinine, Dichloroisothiocyanatophosphine, (2-alpha,7-beta,9-beta)-Securinan-11-one
| 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 | 6704-68-3 |
|---|---|
| SMILES | C1CCN2[C@@H](C1)C34C[C@@H]2C=CC3=CC(=O)O4 |
| InChIKey | SWZMSZQQJRKFBP-WAQLSPKVSA-N |
Product Overview
(2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one (CAS 6704-68-3), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one.
Chemical Property Profile of (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
Property Insights of (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one. With a topological polar surface area (TPSA) of 29.5 Ų, (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one 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 (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one?
The CAS number of (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one is 6704-68-3.
What is the molecular formula of (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one?
The molecular formula of (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one is C13H15NO2.
What is the molecular weight of (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one?
The molecular weight of (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one is 217.11 g/mol.
Where can I buy (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one?
You can request a quote for (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one?
Yes, KEHONG BIO provides custom synthesis services for (2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.