![6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one structure](/static/products/5668/56689-39-5.webp)
6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one
TL;DR: 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one (CAS 56689-39-5) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one
Also Known As: 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one, 6-azatetracyclo[6.5.0.01,7.04,11]trideca-2,5,12-trien-5-ol, 6-Azatetracyclo[6.5.0.0~1,7~.0~4,11~]trideca-2,12-dien-5-one
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 56689-39-5 |
|---|---|
| SMILES | C1CC2C3C24C=CC1C(C=C4)C(=O)N3 |
| InChIKey | BGCTYDXQUBEWOO-UHFFFAOYSA-N |
Product Overview
6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one (CAS 56689-39-5), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 6-azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one.
Chemical Property Profile of 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one
Property Insights of 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one. With a topological polar surface area (TPSA) of 29.1 Ų, 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one has 1 hydrogen bond donor(s) and 1 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 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one?
The CAS number of 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one is 56689-39-5.
What is the molecular formula of 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one?
The molecular formula of 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one is C12H13NO.
What is the molecular weight of 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one?
The molecular weight of 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one is 187.10 g/mol.
Where can I buy 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one?
You can request a quote for 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Azatetracyclo[6.5.0.01,7.04,11]trideca-2,12-dien-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.