![13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- structure](/static/products/422/42273-46-1.png)
13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-
TL;DR: 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- (CAS 42273-46-1) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-13-azabicyclo[7.3.1]trideca-1(12),9(13),10-trien-2-one
Also Known As: 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-, 3,3-Dimethyl-13-azabicyclo[7.3.1]trideca-1 ,9,11-trien-2-one, 3,3-Dimethyl-13-azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 7,7-dimethyl-13-azabicyclo[7.3.1]trideca-1(13),9,11-trien-8-one
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 42273-46-1 |
|---|---|
| SMILES | CC1(CCCCCC2=NC(=CC=C2)C1=O)C |
| InChIKey | VNKPOLYAHIJCBP-UHFFFAOYSA-N |
Product Overview
13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- (CAS 42273-46-1), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 3,3-dimethyl-13-azabicyclo[7.3.1]trideca-1(12),9(13),10-trien-2-one.
Chemical Property Profile of 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-
Property Insights of 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-
The XLogP value of 3.7 indicates that 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- has 0 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-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-?
The CAS number of 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- is 42273-46-1.
What is the molecular formula of 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-?
The molecular formula of 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- is C14H19NO.
What is the molecular weight of 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-?
The molecular weight of 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- is 217.15 g/mol.
Where can I buy 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-?
You can request a quote for 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 13-Azabicyclo[7.3.1]trideca-1(13),9,11-trien-2-one, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.