A1795/0076013
TL;DR: A1795/0076013 (CAS 118941-77-8) is a chemical compound with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Also Known As: A1795/0076013, 4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile, 2-acetyl-6-imino-1,4,4-trimethyl-7-oxabicyclo[3.2.1]oct-2-ene-5,8,8-tricarbonitrile, 4-ACETYL-1,8-DICYANO-7-IMINO-2,2,5-TRIMETHYL-6-OXABICYCLO[3.2.1]OCT-3-EN-8-YL CYANIDE
| Molecular Formula | C15H14N4O2 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 1.85131 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.11166 |
| Heavy Atoms | 21 |
| Complexity | 714.2432 |
Chemical Identifiers
| CAS Number | 118941-77-8 |
|---|---|
| SMILES | CC(=O)C1=CC(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)(C)C |
Product Overview
A1795/0076013 (CAS 118941-77-8), with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol. IUPAC: 4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile.
Chemical Property Profile of A1795/0076013
Property Insights of A1795/0076013
The XLogP value of 1.85131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1795/0076013. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for A1795/0076013. Following Lipinski's Rule of Five, A1795/0076013 has 1 hydrogen bond donor(s) and 6 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 A1795/0076013?
The CAS number of A1795/0076013 is 118941-77-8.
What is the molecular formula of A1795/0076013?
The molecular formula of A1795/0076013 is C15H14N4O2.
What is the molecular weight of A1795/0076013?
The molecular weight of A1795/0076013 is 282.11 g/mol.
Where can I buy A1795/0076013?
You can request a quote for A1795/0076013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1795/0076013?
Yes, KEHONG BIO provides custom synthesis services for A1795/0076013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.