![4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol structure](/static/products/3481/348131-19-1.webp)
4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
TL;DR: 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol (CAS 348131-19-1) is a chemical compound with molecular formula C17H13F3N2O2 and molecular weight 334.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
Also Known As: BIM-0013024.P001, 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol, 4-methoxy-2-(4-(trifluoromethyl)-3H-benzo[b][1,4]diazepin-2-yl)phenol, 4-methoxy-2-[4-(trifluoromethyl)(3H-benzo[b]1,4-diazepin-2-yl)]phenol, (6E)-4-methoxy-6-[4-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C17H13F3N2O2 |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.09293 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 348131-19-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)O)C2=NC3=CC=CC=C3N=C(C2)C(F)(F)F |
| InChIKey | VJCBKRAQOVXTHI-UHFFFAOYSA-N |
Product Overview
4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol (CAS 348131-19-1), with molecular formula C17H13F3N2O2 and molecular weight 334.09 g/mol. IUPAC: 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol.
Chemical Property Profile of 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
Property Insights of 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
The XLogP value of 3.7 indicates that 4-methoxy-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 54.2 Ų, 4-methoxy-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, 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol 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 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
The CAS number of 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol is 348131-19-1.
What is the molecular formula of 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
The molecular formula of 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol is C17H13F3N2O2.
What is the molecular weight of 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
The molecular weight of 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol is 334.09 g/mol.
Where can I buy 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
You can request a quote for 4-methoxy-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 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.