7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one
TL;DR: 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one (CAS 62903-57-5) is a chemical compound with molecular formula C13H12ClF3N2O2 and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-5-(1,1,1-trifluoropropan-2-yloxy)-3H-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one, 5-25-02-00008 (Beilstein Handbook Reference), 7-Chloro-1-methyl-5- -3H-1,4-benzodiazepin-2 -one, 3H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-1-METHYL-5-(1-TRIFLUOROMETHYLETHOXY)-, 7-chloro-1-methyl-5-(1,1,1-trifluoropropan-2-yloxy)-3H-1,4-b
| Molecular Formula | C13H12ClF3N2O2 |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.05392 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 62903-57-5 |
|---|---|
| SMILES | CC(C(F)(F)F)OC1=NCC(=O)N(C2=C1C=C(C=C2)Cl)C |
| InChIKey | ZENMZLBNOCJXSX-UHFFFAOYSA-N |
Product Overview
7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one (CAS 62903-57-5), with molecular formula C13H12ClF3N2O2 and molecular weight 320.05 g/mol. IUPAC: 7-chloro-1-methyl-5-(1,1,1-trifluoropropan-2-yloxy)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one
Property Insights of 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one
The XLogP value of 3.2 indicates that 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one has 0 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 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one?
The CAS number of 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one is 62903-57-5.
What is the molecular formula of 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one?
The molecular formula of 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one is C13H12ClF3N2O2.
What is the molecular weight of 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one?
The molecular weight of 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one is 320.05 g/mol.
Where can I buy 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one?
You can request a quote for 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-1-methyl-5-(1-trifluoromethylethoxy)-3H-1,4-benzodiazepin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.