1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
TL;DR: 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone (CAS 40360-67-6) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone
Also Known As: 1-Piperonyloyl-indolin, IFLab1_004532, 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone, IDI1_010287, 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 40360-67-6 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)OCO4 |
| InChIKey | WQVWCNGGJFMCEF-UHFFFAOYSA-N |
Product Overview
1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone (CAS 40360-67-6), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 1,3-benzodioxol-5-yl(2,3-dihydroindol-1-yl)methanone.
Chemical Property Profile of 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
Property Insights of 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone. With a topological polar surface area (TPSA) of 38.8 Ų, 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone has 0 hydrogen bond donor(s) and 3 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 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone?
The CAS number of 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone is 40360-67-6.
What is the molecular formula of 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone?
The molecular formula of 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone is C16H13NO3.
What is the molecular weight of 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone?
The molecular weight of 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone is 267.09 g/mol.
Where can I buy 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone?
You can request a quote for 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.