13-Acetoxyanagyrine
TL;DR: 13-Acetoxyanagyrine (CAS 77077-09-9) is a chemical compound with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-10,12-dien-4-yl) acetate
Also Known As: 13-Acetoxyanagyrine, O-Acetylbaptifolin, Baptifoline acetate, 13-O-Acetylbaptifoline, (-)-O-Acetylbaptifoline
| Molecular Formula | C17H22N2O3 |
|---|---|
| Molecular Weight | 302.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.16306 |
| Heavy Atoms | 22 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 77077-09-9 |
|---|---|
| SMILES | CC(=O)OC1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O |
| InChIKey | WOXXKFZZPFAEHI-UHFFFAOYSA-N |
Product Overview
13-Acetoxyanagyrine (CAS 77077-09-9), with molecular formula C17H22N2O3 and molecular weight 302.16 g/mol. IUPAC: (14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-10,12-dien-4-yl) acetate.
Chemical Property Profile of 13-Acetoxyanagyrine
Property Insights of 13-Acetoxyanagyrine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Acetoxyanagyrine. With a topological polar surface area (TPSA) of 49.9 Ų, 13-Acetoxyanagyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-Acetoxyanagyrine has 0 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 13-Acetoxyanagyrine?
The CAS number of 13-Acetoxyanagyrine is 77077-09-9.
What is the molecular formula of 13-Acetoxyanagyrine?
The molecular formula of 13-Acetoxyanagyrine is C17H22N2O3.
What is the molecular weight of 13-Acetoxyanagyrine?
The molecular weight of 13-Acetoxyanagyrine is 302.16 g/mol.
Where can I buy 13-Acetoxyanagyrine?
You can request a quote for 13-Acetoxyanagyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Acetoxyanagyrine?
Yes, KEHONG BIO provides custom synthesis services for 13-Acetoxyanagyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.