6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane
TL;DR: 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane (CAS 500103-90-2) is a chemical compound with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-5,7-dinitro-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decane
Also Known As: AJ-292/41599440, 6,6-dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane, 5,7-bisnitro-6,6-dimethyl-2-thien-2-yl-1,3-diazatricyclo[3.3.1.1~3,7~]decane, 6,6-Dimethyl-5,7-dinitro-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decane, (1R,3S,5s,7s)-6,6-dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane
| Molecular Formula | C14H18N4O4S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 1.4487 |
| Topological Polar Surface Area | 92.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1049 |
| Heavy Atoms | 23 |
| Complexity | 636.9592 |
Chemical Identifiers
| CAS Number | 500103-90-2 |
|---|---|
| SMILES | CC1(C2(CN3CC1(CN(C2)C3C4=CC=CS4)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane (CAS 500103-90-2), with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol. IUPAC: 6,6-dimethyl-5,7-dinitro-2-thiophen-2-yl-1,3-diazatricyclo[3.3.1.13,7]decane.
Chemical Property Profile of 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane
Property Insights of 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane
The XLogP value of 1.4487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane. The TPSA of 92.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane. Following Lipinski's Rule of Five, 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane 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 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane?
The CAS number of 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane is 500103-90-2.
What is the molecular formula of 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane?
The molecular formula of 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane is C14H18N4O4S.
What is the molecular weight of 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane?
The molecular weight of 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane is 338.10 g/mol.
Where can I buy 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane?
You can request a quote for 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-5,7-dinitro-2-(thiophen-2-yl)-1,3-diazaadamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.