5-Methyl-1-benzoyl-(1H)-1,2-diazepine
TL;DR: 5-Methyl-1-benzoyl-(1H)-1,2-diazepine (CAS 64762-45-4) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyldiazepin-1-yl)-phenylmethanone
Also Known As: 5-Methyl-1-benzoyl-(1H)-1,2-diazepine, 5-Methyl-1-benzoyl(1H)-1,2-diazepine, (5-methyldiazepin-1-yl)-phenylmethanone, (5-Methyl-1H-1,2-diazepin-1-yl)(phenyl)methanone
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 64762-45-4 |
|---|---|
| SMILES | CC1=CC=NN(C=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | WZZSZCWZNUBGAN-UHFFFAOYSA-N |
Product Overview
5-Methyl-1-benzoyl-(1H)-1,2-diazepine (CAS 64762-45-4), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: (5-methyldiazepin-1-yl)-phenylmethanone.
Chemical Property Profile of 5-Methyl-1-benzoyl-(1H)-1,2-diazepine
Property Insights of 5-Methyl-1-benzoyl-(1H)-1,2-diazepine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-benzoyl-(1H)-1,2-diazepine. With a topological polar surface area (TPSA) of 32.7 Ų, 5-Methyl-1-benzoyl-(1H)-1,2-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1-benzoyl-(1H)-1,2-diazepine has 0 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 5-Methyl-1-benzoyl-(1H)-1,2-diazepine?
The CAS number of 5-Methyl-1-benzoyl-(1H)-1,2-diazepine is 64762-45-4.
What is the molecular formula of 5-Methyl-1-benzoyl-(1H)-1,2-diazepine?
The molecular formula of 5-Methyl-1-benzoyl-(1H)-1,2-diazepine is C13H12N2O.
What is the molecular weight of 5-Methyl-1-benzoyl-(1H)-1,2-diazepine?
The molecular weight of 5-Methyl-1-benzoyl-(1H)-1,2-diazepine is 212.09 g/mol.
Where can I buy 5-Methyl-1-benzoyl-(1H)-1,2-diazepine?
You can request a quote for 5-Methyl-1-benzoyl-(1H)-1,2-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-benzoyl-(1H)-1,2-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-benzoyl-(1H)-1,2-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.