AO-567/40646712
TL;DR: AO-567/40646712 (CAS 499141-67-2) is a chemical compound with molecular formula C16H19FN4O4 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: AO-567/40646712, 2-(4-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane, 2-(4-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane, (1R,3S,5s,7s)-2-(4-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane, 2-(4-fluorophenyl)-5,7-bisnitro-6,6-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
| Molecular Formula | C16H19FN4O4 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 1.5263 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.13904 |
| Heavy Atoms | 25 |
| Complexity | 713.90314 |
Chemical Identifiers
| CAS Number | 499141-67-2 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC=C(C=C4)F)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
AO-567/40646712 (CAS 499141-67-2), with molecular formula C16H19FN4O4 and molecular weight 350.14 g/mol. IUPAC: 2-(4-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of AO-567/40646712
Property Insights of AO-567/40646712
The XLogP value of 1.5263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-567/40646712. The TPSA of 92.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-567/40646712. Following Lipinski's Rule of Five, AO-567/40646712 has 0 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 AO-567/40646712?
The CAS number of AO-567/40646712 is 499141-67-2.
What is the molecular formula of AO-567/40646712?
The molecular formula of AO-567/40646712 is C16H19FN4O4.
What is the molecular weight of AO-567/40646712?
The molecular weight of AO-567/40646712 is 350.14 g/mol.
Where can I buy AO-567/40646712?
You can request a quote for AO-567/40646712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-567/40646712?
Yes, KEHONG BIO provides custom synthesis services for AO-567/40646712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.