2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- (CAS 96954-33-5) is a chemical compound with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitroso-2-[2-(7-oxocyclohepta-1,3,5-trien-1-yl)hydrazinyl]cyclohepta-2,4,6-trien-1-one
Also Known As: 2,4,6-CYCLOHEPTATRIEN-1-ONE, 5-NITROSO-2,2'-HYDRAZODI-, 5-nitroso-2-[2-(7-oxocyclohepta-1,3,5-trien-1-yl)hydrazinyl]cyclohepta-2,4,6-trien-1-one, 5-NITROSO-2-[2-(7-OXOCYCLOHEPTA-1,3,5-TRIEN-1-YL)HYDRAZIN-1-YL]CYCLOHEPTA-2,4,6-TRIEN-1-ONE, RCH-174, BRN 1822895, CID57148, LS-56207, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 5-NITROSO-2,2-HYDRAZODI-, 96954-33-5, BRN 1822895
| Molecular Formula | C14H11N3O3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08005 |
| Heavy Atoms | 20 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 96954-33-5 |
|---|---|
| SMILES | C1=CC=C(C(=O)C=C1)NNC2=CC=C(C=CC2=O)N=O |
| InChIKey | VSKXPPWZVGSTAT-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- (CAS 96954-33-5), with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol. IUPAC: 5-nitroso-2-[2-(7-oxocyclohepta-1,3,5-trien-1-yl)hydrazinyl]cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- has 2 hydrogen bond donor(s) and 6 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 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- is 96954-33-5.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- is C14H11N3O3.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- is 269.08 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 5-nitroso-2,2'-hydrazodi- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.