1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid
TL;DR: 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid (CAS 37646-31-4) is a chemical compound with molecular formula C21H17NO5 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-methyl-5-[(Z)-3-phenylprop-2-enoyl]-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid
Also Known As: 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid, 5H-1,3-Dioxolo(4,5-f)indole-7-acetic acid, 6-methyl-5-(1-oxo-3-phenyl-2-propenyl)-, 6-Methyl-5-(1-oxo-3-phenyl-2-propenyl)-5H-1,3-dioxolo(4,5-f)indole-7-acetic acid, 2-[6-methyl-5-[(Z)-3-phenylprop-2-enoyl]-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid, RefChem:1073394
| Molecular Formula | C21H17NO5 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.65912 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.1107 |
| Heavy Atoms | 27 |
| Complexity | 1079.1401 |
Chemical Identifiers
| CAS Number | 37646-31-4 |
|---|---|
| SMILES | CC1=C(C2=CC3=C(C=C2N1C(=O)/C=C\C4=CC=CC=C4)OCO3)CC(=O)O |
Product Overview
1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid (CAS 37646-31-4), with molecular formula C21H17NO5 and molecular weight 363.11 g/mol. IUPAC: 2-[6-methyl-5-[(Z)-3-phenylprop-2-enoyl]-[1,3]dioxolo[4,5-f]indol-7-yl]acetic acid.
Chemical Property Profile of 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid
Property Insights of 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid
The XLogP value of 3.65912 indicates that 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid. Following Lipinski's Rule of Five, 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid 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 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid?
The CAS number of 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid is 37646-31-4.
What is the molecular formula of 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid?
The molecular formula of 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid is C21H17NO5.
What is the molecular weight of 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid?
The molecular weight of 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid is 363.11 g/mol.
Where can I buy 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid?
You can request a quote for 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Cinnamoyl-2-methyl-5,6-methylenedioxy-3-indolylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.