Opera_ID_78
TL;DR: Opera_ID_78 (CAS 1005100-58-2) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-3a,4,5,7-tetrahydroindazol-5-yl]ethanone
Also Known As: 1-[6-hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-indazol-5-yl]ethanone, 1-[6-hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-3a,4,5,7-tetrahydroindazol-5-yl]ethanone, 1-(6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-3a,5,6,7-tetrahydro-4H-indazol-5-yl)ethan-1-one, 1-(6-hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-indazol-5-yl)ethanone, 1-[6-Hydroxy-4-(4-methoxy-phenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-3aH-indazol-5-yl]-ethanone
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 2.5854 |
| Topological Polar Surface Area | 71.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 688.7232 |
Chemical Identifiers
| CAS Number | 1005100-58-2 |
|---|---|
| SMILES | CC1=NN=C2C1C(C(C(C2)(C)O)C(=O)C)C3=CC=C(C=C3)OC |
Product Overview
Opera_ID_78 (CAS 1005100-58-2), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: 1-[6-hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-3a,4,5,7-tetrahydroindazol-5-yl]ethanone.
Chemical Property Profile of Opera_ID_78
Property Insights of Opera_ID_78
The XLogP value of 2.5854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_78. The TPSA of 71.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_78. Following Lipinski's Rule of Five, Opera_ID_78 has 1 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 Opera_ID_78?
The CAS number of Opera_ID_78 is 1005100-58-2.
What is the molecular formula of Opera_ID_78?
The molecular formula of Opera_ID_78 is C18H22N2O3.
What is the molecular weight of Opera_ID_78?
The molecular weight of Opera_ID_78 is 314.16 g/mol.
Where can I buy Opera_ID_78?
You can request a quote for Opera_ID_78 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_78?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_78 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.