4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime
TL;DR: 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime (CAS 118536-68-8) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)hydroxylamine
Also Known As: 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime, (NE)-N-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)hydroxylamine
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 2.3869 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 557.29846 |
Chemical Identifiers
| CAS Number | 118536-68-8 |
|---|---|
| SMILES | C1CC2=C(C=NN2C3=CC=CC=C3)/C(=N/O)/C1 |
Product Overview
4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime (CAS 118536-68-8), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: (NE)-N-(1-phenyl-6,7-dihydro-5H-indazol-4-ylidene)hydroxylamine.
Chemical Property Profile of 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime
Property Insights of 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime
The XLogP value of 2.3869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime. With a topological polar surface area (TPSA) of 50.41 Ų, 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime 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 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime?
The CAS number of 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime is 118536-68-8.
What is the molecular formula of 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime?
The molecular formula of 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime is C13H13N3O.
What is the molecular weight of 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime?
The molecular weight of 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime is 227.11 g/mol.
Where can I buy 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime?
You can request a quote for 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-phenyl-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.