8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 37040-48-5) is a chemical compound with molecular formula C10H9F3N2O and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(trifluoromethyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Also Known As: Bionet2_001138, 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, nitrotrifluoromethylanilinopropanoicacid, 8-TRIFLUOROMETHYL-1,3,4,5-TETRAHYDRO-BENZOB1,4DIAZEPIN-2-ONE, 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
| Molecular Formula | C10H9F3N2O |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 2.4595 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.0667 |
| Heavy Atoms | 16 |
| Complexity | 428.5626 |
Chemical Identifiers
| CAS Number | 37040-48-5 |
|---|---|
| SMILES | C1CNC2=C(C=C(C=C2)C(F)(F)F)NC1=O |
Product Overview
8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 37040-48-5), with molecular formula C10H9F3N2O and molecular weight 230.07 g/mol. IUPAC: 7-(trifluoromethyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 2.4595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.13 Ų, 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one has 2 hydrogen bond donor(s) and 2 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 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 37040-48-5.
What is the molecular formula of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C10H9F3N2O.
What is the molecular weight of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 230.07 g/mol.
Where can I buy 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.