8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-
TL;DR: 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- (CAS 85008-74-8) is a chemical compound with molecular formula C21H16N2O and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaene
Also Known As: 3a,12b-Dihydro-3-phenyl-8H-dibenz(b,f)isoxazolo(4,5-d)azepine, 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-, Phenyl-3 trihydro-3a,8,12b (dibenzo(b,f)isoxazolo(4,5-d))azepine, Phenyl-3 trihydro-3a,8,12b (dibenzo(b,f)isoxazolo(4,5-d))azepine [French], 3-Phenyl-3a,12b-dihydro-8H-dibenzo[b,f]isoxazolo[4,5-d]azepine
| Molecular Formula | C21H16N2O |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.12625 |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 85008-74-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC3C2C4=CC=CC=C4NC5=CC=CC=C35 |
| InChIKey | SJUGKSOCPVFVFQ-UHFFFAOYSA-N |
Product Overview
8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- (CAS 85008-74-8), with molecular formula C21H16N2O and molecular weight 312.13 g/mol. IUPAC: 5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaene.
Chemical Property Profile of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-
Property Insights of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-
The XLogP value of 4.6 indicates that 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.6 Ų, 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- 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 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-?
The CAS number of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- is 85008-74-8.
What is the molecular formula of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-?
The molecular formula of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- is C21H16N2O.
What is the molecular weight of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-?
The molecular weight of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- is 312.13 g/mol.
Where can I buy 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-?
You can request a quote for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine, 3a,12b-dihydro-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.