![3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile structure](/static/products/3560/356096-72-5.webp)
3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile
TL;DR: 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile (CAS 356096-72-5) is a chemical compound with molecular formula C22H11N5O and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-13-oxa-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene-16,17-dicarbonitrile
Also Known As: ChemDiv1_028103, BAS 03015491, J1.912.889J, 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile, 3-Phenyl-8-oxa-1,2,3a-triaza-dibenzo[e,h]azulene-5,6-dicarbonitrile
| Molecular Formula | C22H11N5O |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.09637 |
| Heavy Atoms | 28 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 356096-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C3N2C4=C(C=C(C(=C4)C#N)C#N)OC5=CC=CC=C53 |
| InChIKey | UALAFHQBMJKWIW-UHFFFAOYSA-N |
Product Overview
3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile (CAS 356096-72-5), with molecular formula C22H11N5O and molecular weight 361.10 g/mol. IUPAC: 3-phenyl-13-oxa-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene-16,17-dicarbonitrile.
Chemical Property Profile of 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile
Property Insights of 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile
The XLogP value of 4.7 indicates that 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile. Following Lipinski's Rule of Five, 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile has 0 hydrogen bond donor(s) and 5 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 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile?
The CAS number of 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile is 356096-72-5.
What is the molecular formula of 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile?
The molecular formula of 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile is C22H11N5O.
What is the molecular weight of 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile?
The molecular weight of 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile is 361.10 g/mol.
Where can I buy 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile?
You can request a quote for 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyldibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]oxazepine-6,7-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.