![2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol structure](/static/products/240/240417-93-0.png)
2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
TL;DR: 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol (CAS 240417-93-0) is a chemical compound with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
Also Known As: TOS-BB-0873, 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol, 2-(7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl)phenol, A1914/0080467, 2-[2,3-DIHYDRO-7-TRIFLUOROMETHYL-1H-1,4-DIAZEPINE-5-YL]PHENOL
| Molecular Formula | C12H11F3N2O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.08234 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 240417-93-0 |
|---|---|
| SMILES | C1CN=C(C=C(N1)C(F)(F)F)C2=CC=CC=C2O |
| InChIKey | CMQDEGPVXPBAOY-UHFFFAOYSA-N |
Product Overview
2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol (CAS 240417-93-0), with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol. IUPAC: 2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol.
Chemical Property Profile of 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
Property Insights of 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol. With a topological polar surface area (TPSA) of 44.6 Ų, 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol has 2 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 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The CAS number of 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is 240417-93-0.
What is the molecular formula of 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The molecular formula of 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is C12H11F3N2O.
What is the molecular weight of 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The molecular weight of 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is 256.08 g/mol.
Where can I buy 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
You can request a quote for 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[7-(Trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.