3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
TL;DR: 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one (CAS 52480-74-7) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-(1,3-benzodioxol-5-yl)-5,6,7,7a-tetrahydro-4H-indol-2-one
Also Known As: 3-Amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one, 3-amino-1-1,4,5,6,7,7a-hexahydro-2h-indol-2-one, 3-amino-1- -1,4,5,6,7,7a-hexahydro-2H-indol-2-one, 3-Amino-1-(benzo[d][1,3]dioxol-5-yl)-5,6,7,7a-tetrahydro-1H-indol-2(4H)-one, 3-amino-1-(1,3-benzodioxol-5-yl)-5,6,7,7a-tetrahydro-4H-indol-2-one
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 52480-74-7 |
|---|---|
| SMILES | C1CCC2=C(C(=O)N(C2C1)C3=CC4=C(C=C3)OCO4)N |
| InChIKey | DFSVLWDYYFZROH-UHFFFAOYSA-N |
Product Overview
3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one (CAS 52480-74-7), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 3-amino-1-(1,3-benzodioxol-5-yl)-5,6,7,7a-tetrahydro-4H-indol-2-one.
Chemical Property Profile of 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
Property Insights of 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one. Following Lipinski's Rule of Five, 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one has 1 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-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one?
The CAS number of 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one is 52480-74-7.
What is the molecular formula of 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one?
The molecular formula of 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one is C15H16N2O3.
What is the molecular weight of 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one?
The molecular weight of 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one is 272.12 g/mol.
Where can I buy 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one?
You can request a quote for 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.