![2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol structure](/static/products/2948/294875-44-8.webp)
2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
TL;DR: 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol (CAS 294875-44-8) is a chemical compound with molecular formula C16H11F3N2O and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
Also Known As: BIM-0040528.P001, 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol, 2-(4-(trifluoromethyl)-3H-benzo[b][1,4]diazepin-2-yl)phenol, 2-[4-(trifluoromethyl)-3H-benzo[b]1,4-diazepin-2-yl]phenol, 6-[4-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C16H11F3N2O |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.08234 |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 294875-44-8 |
|---|---|
| SMILES | C1C(=NC2=CC=CC=C2N=C1C(F)(F)F)C3=CC=CC=C3O |
| InChIKey | QXJRPHTUYGCLAZ-UHFFFAOYSA-N |
Product Overview
2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol (CAS 294875-44-8), with molecular formula C16H11F3N2O and molecular weight 304.08 g/mol. IUPAC: 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol.
Chemical Property Profile of 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
Property Insights of 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
The XLogP value of 3.7 indicates that 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.0 Ų, 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol 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 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
The CAS number of 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol is 294875-44-8.
What is the molecular formula of 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
The molecular formula of 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol is C16H11F3N2O.
What is the molecular weight of 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
The molecular weight of 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol is 304.08 g/mol.
Where can I buy 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
You can request a quote for 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-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-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.