1,3,4-benzoxadiazepin-5(4H)-one
TL;DR: 1,3,4-benzoxadiazepin-5(4H)-one (CAS 144760-61-2) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-1,3,4-benzoxadiazepin-5-one
Also Known As: 1,3,4-benzoxadiazepin-5(4H)-one, 4,5-dihydro-1,3,4-benzoxadiazepin-5-one, 4H-1,3,4-benzoxadiazepin-5-one, Benzo[f][1,3,4]oxadiazepin-5(4H)-one, 4,5-dihydrobenzo[f]-1,3,4-oxadiazepin-5-one
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 144760-61-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NN=CO2 |
| InChIKey | BKKUMKNIRBIPHM-UHFFFAOYSA-N |
Product Overview
1,3,4-benzoxadiazepin-5(4H)-one (CAS 144760-61-2), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: 4H-1,3,4-benzoxadiazepin-5-one.
Chemical Property Profile of 1,3,4-benzoxadiazepin-5(4H)-one
Property Insights of 1,3,4-benzoxadiazepin-5(4H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-benzoxadiazepin-5(4H)-one. With a topological polar surface area (TPSA) of 50.7 Ų, 1,3,4-benzoxadiazepin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-benzoxadiazepin-5(4H)-one has 1 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 1,3,4-benzoxadiazepin-5(4H)-one?
The CAS number of 1,3,4-benzoxadiazepin-5(4H)-one is 144760-61-2.
What is the molecular formula of 1,3,4-benzoxadiazepin-5(4H)-one?
The molecular formula of 1,3,4-benzoxadiazepin-5(4H)-one is C8H6N2O2.
What is the molecular weight of 1,3,4-benzoxadiazepin-5(4H)-one?
The molecular weight of 1,3,4-benzoxadiazepin-5(4H)-one is 162.04 g/mol.
Where can I buy 1,3,4-benzoxadiazepin-5(4H)-one?
You can request a quote for 1,3,4-benzoxadiazepin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-benzoxadiazepin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-benzoxadiazepin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.