3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
TL;DR: 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CAS 84102-09-0) is a chemical compound with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
Also Known As: 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one, 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5, 3-(Hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
| Molecular Formula | C12H18N2O3 |
|---|---|
| Molecular Weight | 238.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.13174 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 84102-09-0 |
|---|---|
| SMILES | CC1CC2=C(C(=O)C1)C(=NN2CCCO)CO |
| InChIKey | LGIIGPOXIBATKW-UHFFFAOYSA-N |
Product Overview
3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CAS 84102-09-0), with molecular formula C12H18N2O3 and molecular weight 238.13 g/mol. IUPAC: 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
Chemical Property Profile of 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
Property Insights of 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
The XLogP value of -0.4 indicates that 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one. Following Lipinski's Rule of Five, 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one has 2 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 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The CAS number of 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is 84102-09-0.
What is the molecular formula of 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The molecular formula of 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is C12H18N2O3.
What is the molecular weight of 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The molecular weight of 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one is 238.13 g/mol.
Where can I buy 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
You can request a quote for 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(hydroxymethyl)-1-(3-hydroxypropyl)-6-methyl-6,7-dihydro-5H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.