![6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene structure](/static/products/1359/13591-54-3.webp)
6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
TL;DR: 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene (CAS 13591-54-3) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Also Known As: 6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene, 6-(4-nitrophenyl)-2-phenyl-3,5-diazabicyclo[3.1.0]hex-2-ene
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 13591-54-3 |
|---|---|
| SMILES | C1N=C(C2N1C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
| InChIKey | LDEOXZRZWLCHRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene (CAS 13591-54-3), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene.
Chemical Property Profile of 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
Property Insights of 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene. Following Lipinski's Rule of Five, 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene has 0 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 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
The CAS number of 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene is 13591-54-3.
What is the molecular formula of 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
The molecular formula of 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene is C16H13N3O2.
What is the molecular weight of 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
The molecular weight of 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene is 279.10 g/mol.
Where can I buy 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
You can request a quote for 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.