1-(2-Chloro-3,5-dinitrophenyl)adamantane
TL;DR: 1-(2-Chloro-3,5-dinitrophenyl)adamantane (CAS 71466-68-7) is a chemical compound with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-3,5-dinitrophenyl)adamantane
Also Known As: 1-(2-Chloro-3,5-dinitrophenyl)adamantane, 1-(2-Chloro-3,5-dinitrophenyl)adamantane #, (3r)-1-(2-chloro-3,5-dinitrophenyl)adamantane, Tricyclo[3.3.1.13,7]decane, 1-(2-chloro-3,5-dinitrophenyl)-, 1-(2-Chloro-3,5-dinitrophenyl)tricyclo[3.3.1.13,7]decane
| Molecular Formula | C16H17ClN2O4 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.08768 |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 71466-68-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | KZNKSWRPGRRDDF-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-3,5-dinitrophenyl)adamantane (CAS 71466-68-7), with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol. IUPAC: 1-(2-chloro-3,5-dinitrophenyl)adamantane.
Chemical Property Profile of 1-(2-Chloro-3,5-dinitrophenyl)adamantane
Property Insights of 1-(2-Chloro-3,5-dinitrophenyl)adamantane
The XLogP value of 5.6 indicates that 1-(2-Chloro-3,5-dinitrophenyl)adamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-3,5-dinitrophenyl)adamantane. Following Lipinski's Rule of Five, 1-(2-Chloro-3,5-dinitrophenyl)adamantane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Chloro-3,5-dinitrophenyl)adamantane?
The CAS number of 1-(2-Chloro-3,5-dinitrophenyl)adamantane is 71466-68-7.
What is the molecular formula of 1-(2-Chloro-3,5-dinitrophenyl)adamantane?
The molecular formula of 1-(2-Chloro-3,5-dinitrophenyl)adamantane is C16H17ClN2O4.
What is the molecular weight of 1-(2-Chloro-3,5-dinitrophenyl)adamantane?
The molecular weight of 1-(2-Chloro-3,5-dinitrophenyl)adamantane is 336.09 g/mol.
Where can I buy 1-(2-Chloro-3,5-dinitrophenyl)adamantane?
You can request a quote for 1-(2-Chloro-3,5-dinitrophenyl)adamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-3,5-dinitrophenyl)adamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-3,5-dinitrophenyl)adamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.