RefChem:1068948
TL;DR: RefChem:1068948 (CAS 101986-23-6) is a chemical compound with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4-methoxyphenyl)-2,3a,4,5-tetrahydroindazol-3-one
Also Known As: 2,3a,4,5-Tetrahydro-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4-methoxyphenyl)-3H-indazol-3-one, 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4-methoxyphenyl)-, (6E)-4-(1,3-benzodioxol-5-yl)-6-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-2,3a,4,5-tetrahydro-1H-indazol-3-one, RefChem:1068948, BRN 5649099
| Molecular Formula | C21H18N2O5 |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 2.8024 |
| Topological Polar Surface Area | 89.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.12158 |
| Heavy Atoms | 28 |
| Complexity | 1043.0867 |
Chemical Identifiers
| CAS Number | 101986-23-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2=CC3=NNC(=O)C3C(C2)C4=CC5=C(C=C4)OCO5)O |
Product Overview
RefChem:1068948 (CAS 101986-23-6), with molecular formula C21H18N2O5 and molecular weight 378.12 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4-methoxyphenyl)-2,3a,4,5-tetrahydroindazol-3-one.
Chemical Property Profile of RefChem:1068948
Property Insights of RefChem:1068948
The XLogP value of 2.8024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068948. The TPSA of 89.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068948. Following Lipinski's Rule of Five, RefChem:1068948 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 RefChem:1068948?
The CAS number of RefChem:1068948 is 101986-23-6.
What is the molecular formula of RefChem:1068948?
The molecular formula of RefChem:1068948 is C21H18N2O5.
What is the molecular weight of RefChem:1068948?
The molecular weight of RefChem:1068948 is 378.12 g/mol.
Where can I buy RefChem:1068948?
You can request a quote for RefChem:1068948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068948?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.