1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
TL;DR: 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- (CAS 34848-25-4) is a chemical compound with molecular formula C11H9F6NO4 and molecular weight 333.04 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)butane-1,3-diol
Also Known As: 1-(m-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-1,3-butanediol, 1,3-BUTANEDIOL, 1-(m-NITROPHENYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-, Benzyl alcohol, m-nitro-alpha-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-, 4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butane-, 4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol
| Molecular Formula | C11H9F6NO4 |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.04358 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 34848-25-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | FJTBLBJDWDDWKA-UHFFFAOYSA-N |
Product Overview
1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- (CAS 34848-25-4), with molecular formula C11H9F6NO4 and molecular weight 333.04 g/mol. IUPAC: 4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)butane-1,3-diol.
Chemical Property Profile of 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
Property Insights of 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-. Following Lipinski's Rule of Five, 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- has 2 hydrogen bond donor(s) and 10 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 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
The CAS number of 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- is 34848-25-4.
What is the molecular formula of 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular formula of 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- is C11H9F6NO4.
What is the molecular weight of 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
The molecular weight of 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- is 333.04 g/mol.
Where can I buy 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
You can request a quote for 1,3-Butanediol, 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 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanediol, 1-(m-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.