2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-
TL;DR: 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- (CAS 36985-35-0) is a chemical compound with molecular formula C16H12F3N3O and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one
Also Known As: 5-25-15-00138 (Beilstein Handbook Reference), 4-amino-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one, 2H-(1,5)-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-4-AMINO-1-PHENYL-8-(TRIFLUOROMETHYL)-, 4-Amino-1-phenyl-8-(trifluoromethyl)-2H-1,3-dihydro-(1,5)-benzodiazepin-2-one, 4-amino-8-bromo-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
| Molecular Formula | C16H12F3N3O |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.09326 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 36985-35-0 |
|---|---|
| SMILES | C1C(=NC2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C3=CC=CC=C3)N |
| InChIKey | VRAXKPZRHYDZFB-UHFFFAOYSA-N |
Product Overview
2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- (CAS 36985-35-0), with molecular formula C16H12F3N3O and molecular weight 319.09 g/mol. IUPAC: 4-amino-1-phenyl-8-(trifluoromethyl)-3H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-
Property Insights of 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 58.7 Ų, 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 5 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 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-?
The CAS number of 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- is 36985-35-0.
What is the molecular formula of 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-?
The molecular formula of 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- is C16H12F3N3O.
What is the molecular weight of 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-?
The molecular weight of 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- is 319.09 g/mol.
Where can I buy 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-?
You can request a quote for 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-1-phenyl-8-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.