1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-
TL;DR: 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- (CAS 332392-68-4) is a chemical compound with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: ChemDiv1_023409, BAS 01579778, 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane, (1R,3S,5s,7s)-2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazaadamantane
| Molecular Formula | C17H22N4O5 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.15903 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 332392-68-4 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC=C(C=C4)OC)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | AQUICHQENWTAOX-UHFFFAOYSA-N |
Product Overview
1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- (CAS 332392-68-4), with molecular formula C17H22N4O5 and molecular weight 362.16 g/mol. IUPAC: 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-
Property Insights of 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-. Following Lipinski's Rule of Five, 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- has 0 hydrogen bond donor(s) and 7 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 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-?
The CAS number of 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- is 332392-68-4.
What is the molecular formula of 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-?
The molecular formula of 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- is C17H22N4O5.
What is the molecular weight of 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-?
The molecular weight of 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- is 362.16 g/mol.
Where can I buy 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-?
You can request a quote for 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.