3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine
TL;DR: 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine (CAS 1024896-60-3) is a chemical compound with molecular formula C18H21N3O3 and molecular weight 327.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine, aza(3-benzo[d]1,3-dioxolan-5-yl-1,6,6-trimethyl(5,6,7-trihydro1H-indazol-4-ylidene))methoxymethane, 3-benzo[1,3]dioxol-5-yl-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine
| Molecular Formula | C18H21N3O3 |
|---|---|
| Molecular Weight | 327.16 g/mol |
| LogP | 3.1387 |
| Topological Polar Surface Area | 57.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.1583 |
| Heavy Atoms | 24 |
| Complexity | 836.2748 |
Chemical Identifiers
| CAS Number | 1024896-60-3 |
|---|---|
| SMILES | CC1(CC2=C(C(=NOC)C1)C(=NN2C)C3=CC4=C(C=C3)OCO4)C |
Product Overview
3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine (CAS 1024896-60-3), with molecular formula C18H21N3O3 and molecular weight 327.16 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine
Property Insights of 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine
The XLogP value of 3.1387 indicates that 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.87 Ų, 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine has 0 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 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine?
The CAS number of 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine is 1024896-60-3.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine is C18H21N3O3.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine is 327.16 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-N-methoxy-1,6,6-trimethyl-5,7-dihydroindazol-4-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.