![13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one structure](/static/products/4868/486-86-2.webp)
13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
TL;DR: 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CAS 486-86-2) is a chemical compound with molecular formula C12H16N2O and molecular weight 204.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: Caulophylline
| Molecular Formula | C12H16N2O |
|---|---|
| Molecular Weight | 204.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.12627 |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 486-86-2 |
|---|---|
| SMILES | CC1C2CNCC1C3=CC=CC(=O)N3C2 |
| InChIKey | RGKIXECTVPHJLM-UHFFFAOYSA-N |
Product Overview
13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CAS 486-86-2), with molecular formula C12H16N2O and molecular weight 204.13 g/mol. IUPAC: 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
Chemical Property Profile of 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Property Insights of 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one. With a topological polar surface area (TPSA) of 32.3 Ų, 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The CAS number of 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is 486-86-2.
What is the molecular formula of 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The molecular formula of 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is C12H16N2O.
What is the molecular weight of 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The molecular weight of 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is 204.13 g/mol.
Where can I buy 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
You can request a quote for 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
Yes, KEHONG BIO provides custom synthesis services for 13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.