5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
TL;DR: 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine (CAS 101834-51-9) is a chemical compound with molecular formula C13H13F6NO and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
Also Known As: 5-Benzyl-2,2-bis(trifluoromethyl)-4-methyloxazolidine hydrate, 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine, Oxazolidine, 5-benzyl-2,2-bis(trifluoromethyl)-4-methyl-, hydrate, Oxazolidine, 4-methyl-5-(phenylmethyl)-2,2-bis(trifluoromethyl)-, RefChem:1072667
| Molecular Formula | C13H13F6NO |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.4269 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.09012 |
| Heavy Atoms | 21 |
| Complexity | 469.6751 |
Chemical Identifiers
| CAS Number | 101834-51-9 |
|---|---|
| SMILES | CC1C(OC(N1)(C(F)(F)F)C(F)(F)F)CC2=CC=CC=C2 |
Product Overview
5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine (CAS 101834-51-9), with molecular formula C13H13F6NO and molecular weight 313.09 g/mol. IUPAC: 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine.
Chemical Property Profile of 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
Property Insights of 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
The XLogP value of 3.4269 indicates that 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine has 1 hydrogen bond donor(s) and 2 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 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
The CAS number of 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine is 101834-51-9.
What is the molecular formula of 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
The molecular formula of 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine is C13H13F6NO.
What is the molecular weight of 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
The molecular weight of 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine is 313.09 g/mol.
Where can I buy 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
You can request a quote for 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.