2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
TL;DR: 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100482-54-0) is a chemical compound with molecular formula C11H7F6NO3 and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-ol
Also Known As: 4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-ol, 1-(m-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-ol, 4-Propyloxy-3.5-dipropyl-benzoesaeure, 2-BUTEN-1-OL, 1-(m-NITROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, Benzenemethanol,3-nitro-a-[3,3,3-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]-
| Molecular Formula | C11H7F6NO3 |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.03302 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 100482-54-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(C=C(C(F)(F)F)C(F)(F)F)O |
| InChIKey | IDDNADSOAFYBIV-UHFFFAOYSA-N |
Product Overview
2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- (CAS 100482-54-0), with molecular formula C11H7F6NO3 and molecular weight 315.03 g/mol. IUPAC: 4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-ol.
Chemical Property Profile of 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
Property Insights of 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
The XLogP value of 3.6 indicates that 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-. Following Lipinski's Rule of Five, 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- has 1 hydrogen bond donor(s) and 9 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 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
The CAS number of 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- is 100482-54-0.
What is the molecular formula of 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular formula of 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- is C11H7F6NO3.
What is the molecular weight of 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular weight of 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- is 315.03 g/mol.
Where can I buy 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
You can request a quote for 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-ol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.