3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)
TL;DR: 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) (CAS 58191-87-0) is a chemical compound with molecular formula C26H29F3N4O5 and molecular weight 534.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;7-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6-dihydro-4H-diazepin-3-one
Also Known As: 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1), Oxalic acid--7-phenyl-2-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,4,5,6-tetrahydro-3H-1,2-diazepin-3-one (1/1), oxalic acid; 7-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6-dihydro-4H-diazepin-3-one, RefChem:283017
| Molecular Formula | C26H29F3N4O5 |
|---|---|
| Molecular Weight | 534.21 g/mol |
| LogP | 3.3998 |
| Topological Polar Surface Area | 113.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.209 |
| Heavy Atoms | 38 |
| Complexity | 1137.0726 |
Chemical Identifiers
| CAS Number | 58191-87-0 |
|---|---|
| SMILES | C1CC(=NN(C(=O)C1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4.C(=O)(C(=O)O)O |
Product Overview
3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) (CAS 58191-87-0), with molecular formula C26H29F3N4O5 and molecular weight 534.21 g/mol. IUPAC: oxalic acid;7-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6-dihydro-4H-diazepin-3-one.
Chemical Property Profile of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)
Property Insights of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)
The XLogP value of 3.3998 indicates that 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)?
The CAS number of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) is 58191-87-0.
What is the molecular formula of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)?
The molecular formula of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) is C26H29F3N4O5.
What is the molecular weight of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)?
The molecular weight of 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) is 534.21 g/mol.
Where can I buy 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)?
You can request a quote for 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2-Diazepin-3-one, 2,4,5,6-tetrahydro-7-phenyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.