![methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate structure](/static/products/956/956398-22-4.png)
methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate
TL;DR: methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate (CAS 956398-22-4) is a chemical compound with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)amino]propanoate
Also Known As: methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate, Methyl (2S)-2-{[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0,]trideca-2,4-diene-11-carbonyl]amino}propanoate
| Molecular Formula | C16H21N3O4 |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 0.5385 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.1532 |
| Heavy Atoms | 23 |
| Complexity | 684.1481 |
Chemical Identifiers
| CAS Number | 956398-22-4 |
|---|---|
| SMILES | CC(C(=O)OC)NC(=O)N1CC2CC(C1)C3=CC=CC(=O)N3C2 |
Product Overview
methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate (CAS 956398-22-4), with molecular formula C16H21N3O4 and molecular weight 319.15 g/mol. IUPAC: methyl 2-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)amino]propanoate.
Chemical Property Profile of methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate
Property Insights of methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate
The XLogP value of 0.5385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate. Following Lipinski's Rule of Five, methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate has 1 hydrogen bond donor(s) and 4 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 methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate?
The CAS number of methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate is 956398-22-4.
What is the molecular formula of methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate?
The molecular formula of methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate is C16H21N3O4.
What is the molecular weight of methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate?
The molecular weight of methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate is 319.15 g/mol.
Where can I buy methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate?
You can request a quote for methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.