![4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol structure](/static/products/2404/240417-95-2.webp)
4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
TL;DR: 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol (CAS 240417-95-2) is a chemical compound with molecular formula C13H13F3N2O2 and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
Also Known As: TOS-BB-0876, 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol, AB00101849-01, 4-Methoxy-2-(7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl)phenol, 2-[2,3-DIHYDRO-7-TRIFLUOROMETHYL-1H-1,4-DIAZEPINE-5-YL]-4-METHOXYPHENOL
| Molecular Formula | C13H13F3N2O2 |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.09293 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 240417-95-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)O)C2=NCCNC(=C2)C(F)(F)F |
| InChIKey | GDOPBSPXCLGNMX-UHFFFAOYSA-N |
Product Overview
4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol (CAS 240417-95-2), with molecular formula C13H13F3N2O2 and molecular weight 286.09 g/mol. IUPAC: 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol.
Chemical Property Profile of 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
Property Insights of 4-methoxy-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 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol. With a topological polar surface area (TPSA) of 53.9 Ų, 4-methoxy-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, 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol has 2 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-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The CAS number of 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is 240417-95-2.
What is the molecular formula of 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The molecular formula of 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is C13H13F3N2O2.
What is the molecular weight of 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The molecular weight of 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is 286.09 g/mol.
Where can I buy 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
You can request a quote for 4-methoxy-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 4-methoxy-2-[7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-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.