1-(Difluoro(methoxy)methyl)adamantane
TL;DR: 1-(Difluoro(methoxy)methyl)adamantane (CAS 123933-36-8) is a chemical compound with molecular formula C12H18F2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[difluoro(methoxy)methyl]adamantane
Also Known As: 1-(Difluoro(methoxy)methyl)adamantane, 1-[difluoro(methoxy)methyl]adamantane, 1-adamantyldifluoromethyl methyl ether, 1-Adamantyl(difluoro)methyl methyl ether
| Molecular Formula | C12H18F2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.13257 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 123933-36-8 |
|---|---|
| SMILES | COC(C12CC3CC(C1)CC(C3)C2)(F)F |
| InChIKey | MBGKGXDDDMVQFN-UHFFFAOYSA-N |
Product Overview
1-(Difluoro(methoxy)methyl)adamantane (CAS 123933-36-8), with molecular formula C12H18F2O and molecular weight 216.13 g/mol. IUPAC: 1-[difluoro(methoxy)methyl]adamantane.
Chemical Property Profile of 1-(Difluoro(methoxy)methyl)adamantane
Property Insights of 1-(Difluoro(methoxy)methyl)adamantane
The XLogP value of 3.8 indicates that 1-(Difluoro(methoxy)methyl)adamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(Difluoro(methoxy)methyl)adamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Difluoro(methoxy)methyl)adamantane has 0 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 1-(Difluoro(methoxy)methyl)adamantane?
The CAS number of 1-(Difluoro(methoxy)methyl)adamantane is 123933-36-8.
What is the molecular formula of 1-(Difluoro(methoxy)methyl)adamantane?
The molecular formula of 1-(Difluoro(methoxy)methyl)adamantane is C12H18F2O.
What is the molecular weight of 1-(Difluoro(methoxy)methyl)adamantane?
The molecular weight of 1-(Difluoro(methoxy)methyl)adamantane is 216.13 g/mol.
Where can I buy 1-(Difluoro(methoxy)methyl)adamantane?
You can request a quote for 1-(Difluoro(methoxy)methyl)adamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Difluoro(methoxy)methyl)adamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Difluoro(methoxy)methyl)adamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.