1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate
TL;DR: 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate (CAS 16221-65-1) is a chemical compound with molecular formula C14H14F3NO4 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-prop-2-ynoxy-3-[3-(trifluoromethyl)phenoxy]propan-2-yl] carbamate
Also Known As: 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate, 2-Propanol, 1-(2-propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-, carbamate, [1-prop-2-ynoxy-3-[3-(trifluoromethyl)phenoxy]propan-2-yl] carbamate, 1-[(Prop-2-yn-1-yl)oxy]-3-[3-(trifluoromethyl)phenoxy]propan-2-yl hydrogen carbonimidate, BRN 2481372
| Molecular Formula | C14H14F3NO4 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.0875 |
| Heavy Atoms | 22 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 16221-65-1 |
|---|---|
| SMILES | C#CCOCC(COC1=CC=CC(=C1)C(F)(F)F)OC(=O)N |
| InChIKey | ZWUGMQPNIKMYMS-UHFFFAOYSA-N |
Product Overview
1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate (CAS 16221-65-1), with molecular formula C14H14F3NO4 and molecular weight 317.09 g/mol. IUPAC: [1-prop-2-ynoxy-3-[3-(trifluoromethyl)phenoxy]propan-2-yl] carbamate.
Chemical Property Profile of 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate
Property Insights of 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate. Following Lipinski's Rule of Five, 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate has 1 hydrogen bond donor(s) and 7 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-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate?
The CAS number of 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate is 16221-65-1.
What is the molecular formula of 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate?
The molecular formula of 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate is C14H14F3NO4.
What is the molecular weight of 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate?
The molecular weight of 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate is 317.09 g/mol.
Where can I buy 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate?
You can request a quote for 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Propynyloxy)-3-((alpha,alpha,alpha-trifluoro-m-tolyl)oxy)-2-propanol carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.