AJ-292/40871995
TL;DR: AJ-292/40871995 (CAS 488706-69-0) 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-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: AJ-292/40871995, 2-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1R,3S,5s,7s)-2-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane, 2-(2-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 | 731.15314 |
Chemical Identifiers
| CAS Number | 488706-69-0 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC=CC=C4F)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
AJ-292/40871995 (CAS 488706-69-0), with molecular formula C16H19FN4O4 and molecular weight 350.14 g/mol. IUPAC: 2-(2-fluorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of AJ-292/40871995
Property Insights of AJ-292/40871995
The XLogP value of 1.5263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-292/40871995. The TPSA of 92.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/40871995. Following Lipinski's Rule of Five, AJ-292/40871995 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 AJ-292/40871995?
The CAS number of AJ-292/40871995 is 488706-69-0.
What is the molecular formula of AJ-292/40871995?
The molecular formula of AJ-292/40871995 is C16H19FN4O4.
What is the molecular weight of AJ-292/40871995?
The molecular weight of AJ-292/40871995 is 350.14 g/mol.
Where can I buy AJ-292/40871995?
You can request a quote for AJ-292/40871995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40871995?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40871995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.