3-(4-Methyl-3-nitrophenyl)adamantan-1-ol
TL;DR: 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol (CAS 5217-31-2) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methyl-3-nitrophenyl)adamantan-1-ol
Also Known As: 3-(4-methyl-3-nitrophenyl)adamantan-1-ol, 3-(4-methyl-3-nitrophenyl)-1-adamantanol
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 3.48592 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 610.4613 |
Chemical Identifiers
| CAS Number | 5217-31-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-] |
Product Overview
3-(4-Methyl-3-nitrophenyl)adamantan-1-ol (CAS 5217-31-2), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: 3-(4-methyl-3-nitrophenyl)adamantan-1-ol.
Chemical Property Profile of 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol
Property Insights of 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol
The XLogP value of 3.48592 indicates that 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol. Following Lipinski's Rule of Five, 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol has 1 hydrogen bond donor(s) and 3 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 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol?
The CAS number of 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol is 5217-31-2.
What is the molecular formula of 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol?
The molecular formula of 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol is C17H21NO3.
What is the molecular weight of 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol?
The molecular weight of 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol is 287.15 g/mol.
Where can I buy 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol?
You can request a quote for 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methyl-3-nitrophenyl)adamantan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.