RefChem:1068952
TL;DR: RefChem:1068952 (CAS 101986-21-4) is a chemical compound with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)-2,3a,4,5-tetrahydroindazol-3-one
Also Known As: 2,3a,4,5-Tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)-3H-indazol-3-one, 3H-Indazol-3-one, 2,3a,4,5-tetrahydro-6-(2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)-, (6E)-6-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methoxyphenyl)-2,3a,4,5-tetrahydro-1H-indazol-3-one, RefChem:1068952, BRN 5639406
| Molecular Formula | C21H20N2O4 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 3.0823 |
| Topological Polar Surface Area | 80.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.1423 |
| Heavy Atoms | 27 |
| Complexity | 947.154 |
Chemical Identifiers
| CAS Number | 101986-21-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=CC3=NNC(=O)C23)C4=C(C=C(C=C4)OC)O |
Product Overview
RefChem:1068952 (CAS 101986-21-4), with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol. IUPAC: 6-(2-hydroxy-4-methoxyphenyl)-4-(4-methoxyphenyl)-2,3a,4,5-tetrahydroindazol-3-one.
Chemical Property Profile of RefChem:1068952
Property Insights of RefChem:1068952
The XLogP value of 3.0823 indicates that RefChem:1068952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068952. Following Lipinski's Rule of Five, RefChem:1068952 has 2 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 RefChem:1068952?
The CAS number of RefChem:1068952 is 101986-21-4.
What is the molecular formula of RefChem:1068952?
The molecular formula of RefChem:1068952 is C21H20N2O4.
What is the molecular weight of RefChem:1068952?
The molecular weight of RefChem:1068952 is 364.14 g/mol.
Where can I buy RefChem:1068952?
You can request a quote for RefChem:1068952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068952?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.