1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol
TL;DR: 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol (CAS 5472-29-7) is a chemical compound with molecular formula C18H20F3NO2 and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[benzyl(methyl)amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
Also Known As: Compound 1002, Upjohn compound 1002, KST-1B5431, 1-[benzyl(methyl)amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol, U 1002
| Molecular Formula | C18H20F3NO2 |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.14462 |
| Heavy Atoms | 24 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 5472-29-7 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)CC(COC2=CC=CC(=C2)C(F)(F)F)O |
| InChIKey | KSGFJKSNZLTEDI-UHFFFAOYSA-N |
Product Overview
1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol (CAS 5472-29-7), with molecular formula C18H20F3NO2 and molecular weight 339.14 g/mol. IUPAC: 1-[benzyl(methyl)amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
Chemical Property Profile of 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol
Property Insights of 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol
The XLogP value of 3.7 indicates that 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol has 1 hydrogen bond donor(s) and 6 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-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol?
The CAS number of 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol is 5472-29-7.
What is the molecular formula of 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol?
The molecular formula of 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol is C18H20F3NO2.
What is the molecular weight of 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol?
The molecular weight of 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol is 339.14 g/mol.
Where can I buy 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol?
You can request a quote for 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzylmethylamino)-3-(alpha,alpha,alpha-trifluoro-3-tolyl)oxy-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.