![Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester structure](/static/products/167/16780-58-8.png)
Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
TL;DR: Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester (CAS 16780-58-8) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
Also Known As: 3-acetoxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one, (2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate, 2-Oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate, 2-Oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate #, Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 16780-58-8 |
|---|---|
| SMILES | CC(=O)OC1C(=O)NC2=CC=CC=C2C=N1 |
| InChIKey | RARFJNHHGXZDRM-UHFFFAOYSA-N |
Product Overview
Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester (CAS 16780-58-8), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: (2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate.
Chemical Property Profile of Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
Property Insights of Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester. Following Lipinski's Rule of Five, Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester 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 Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester?
The CAS number of Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester is 16780-58-8.
What is the molecular formula of Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester?
The molecular formula of Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester is C11H10N2O3.
What is the molecular weight of Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester?
The molecular weight of Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester is 218.07 g/mol.
Where can I buy Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester?
You can request a quote for Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.