2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl
TL;DR: 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl (CAS 67744-74-5) is a chemical compound with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-(2-phenylethyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Also Known As: 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl, 7-Methyl-3-(2-phenylethyl)hexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, 7-methyl-3-(2-phenylethyl)-2,4,7,8,9,10-hexahydropyridazino[, 7-Methyl-3-(2-phenylethyl)hexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dione, 7-methyl-3-phenethyl-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
| Molecular Formula | C17H23N3O2 |
|---|---|
| Molecular Weight | 301.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.17902 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 67744-74-5 |
|---|---|
| SMILES | CC1CCCN2N1C(=O)CN(CC2=O)CCC3=CC=CC=C3 |
| InChIKey | SYUGDVHJQKNRMA-UHFFFAOYSA-N |
Product Overview
2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl (CAS 67744-74-5), with molecular formula C17H23N3O2 and molecular weight 301.18 g/mol. IUPAC: 7-methyl-3-(2-phenylethyl)-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione.
Chemical Property Profile of 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl
Property Insights of 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl. With a topological polar surface area (TPSA) of 43.9 Ų, 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl has 0 hydrogen bond donor(s) and 3 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-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl?
The CAS number of 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl is 67744-74-5.
What is the molecular formula of 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl?
The molecular formula of 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl is C17H23N3O2.
What is the molecular weight of 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl?
The molecular weight of 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl is 301.18 g/mol.
Where can I buy 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl?
You can request a quote for 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Diazepin-2-one,hexahydro-3,4-dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.