7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
TL;DR: 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate (CAS 40918-47-6) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
Also Known As: ChemDiv1_024558, 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl acetate, (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate, 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate, Acetic acid 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 2.67372 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 797.16895 |
Chemical Identifiers
| CAS Number | 40918-47-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C(N=C2C3=CC=CC=C3)OC(=O)C |
Product Overview
7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate (CAS 40918-47-6), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: (7-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate.
Chemical Property Profile of 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
Property Insights of 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
The XLogP value of 2.67372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate. Following Lipinski's Rule of Five, 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate has 1 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 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
The CAS number of 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate is 40918-47-6.
What is the molecular formula of 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
The molecular formula of 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate is C18H16N2O3.
What is the molecular weight of 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
The molecular weight of 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate is 308.12 g/mol.
Where can I buy 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
You can request a quote for 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.