5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-
TL;DR: 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- (CAS 37585-59-4) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-methyl-5-(4-methylbenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
Also Known As: 5H-1,3-DIOXOLO(4,5-f)INDOLE-7-ACETIC ACID, 6-METHYL-5-(p-TOLUOYL)-, 6-Methyl-5-(p-toluoyl)-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(4-methylbenzoyl), N-Acyl-2-methyl-5,6-methylendioxy-3-indolylysaeure, 6-methyl-5-5h-1,3-dioxolo[4,5-f]indole-7-aceticacid
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 37585-59-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C(=C(C3=CC4=C(C=C32)OCO4)CC(=O)O)C |
| InChIKey | LBJXJCKHTNSLIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- (CAS 37585-59-4), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: 2-[6-methyl-5-(4-methylbenzoyl)-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid.
Chemical Property Profile of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-
Property Insights of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-
The XLogP value of 3.8 indicates that 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-. Following Lipinski's Rule of Five, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- has 1 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 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-?
The CAS number of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- is 37585-59-4.
What is the molecular formula of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-?
The molecular formula of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- is C20H17NO5.
What is the molecular weight of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-?
The molecular weight of 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- is 351.11 g/mol.
Where can I buy 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-?
You can request a quote for 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(p-toluoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.