1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione (CAS 374918-49-7) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione
Also Known As: MixCom6_002564, BIM-0047485.P001, 1-(1,3-benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione, 1-(1,3-benzodioxol-5-ylmethyl)-3a,7a-dihydro-1H-indole-2,3-dione, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-indole-2,3(3aH,7aH)-dione
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 1.4374 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 691.51746 |
Chemical Identifiers
| CAS Number | 374918-49-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C4C=CC=CC4C(=O)C3=O |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione (CAS 374918-49-7), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione
The XLogP value of 1.4374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione. With a topological polar surface area (TPSA) of 55.84 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione has 0 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 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione is 374918-49-7.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione is C16H13NO4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione is 283.08 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3a,7a-dihydroindole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.