2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine
TL;DR: 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine (CAS 87474-35-9) is a chemical compound with molecular formula C17H20N4O and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]acetamide
Also Known As: 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine, N-((4-Phenyl-2,3,4,5-tetrahydro-1H-pyrido(2,3-b)(1,4)diazepin-2-yl)methyl)acetamide, Acetamide, N-((2,3,4,5-tetrahydro-4-phenyl-1H-pyrido(2,3-b)(1,4)diazepin-2-yl)methyl)-, N-[(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepi, N-[(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]acetamide
| Molecular Formula | C17H20N4O |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 2.5551 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1637 |
| Heavy Atoms | 22 |
| Complexity | 644.117 |
Chemical Identifiers
| CAS Number | 87474-35-9 |
|---|---|
| SMILES | CC(=O)NCC1CC(NC2=C(N1)C=CC=N2)C3=CC=CC=C3 |
Product Overview
2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine (CAS 87474-35-9), with molecular formula C17H20N4O and molecular weight 296.16 g/mol. IUPAC: N-[(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]acetamide.
Chemical Property Profile of 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine
Property Insights of 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine
The XLogP value of 2.5551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine. The TPSA of 66.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine. Following Lipinski's Rule of Five, 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine has 3 hydrogen bond donor(s) and 4 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 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
The CAS number of 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine is 87474-35-9.
What is the molecular formula of 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
The molecular formula of 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine is C17H20N4O.
What is the molecular weight of 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
The molecular weight of 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine is 296.16 g/mol.
Where can I buy 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
You can request a quote for 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetaminomethylene-4-phenyl-1H-tetrahydro-6-azabenzo-1,5-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.