ID 955
TL;DR: ID 955 (CAS 21722-66-7) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ID 955
2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Also Known As: Compound ID-955, 1-(1,3-Benzodioxol-5-ylcarbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid, Indole-3-acetic acid, 5-methoxy-2-methyl-1-piperonyloyl-, 1-(3',4'-Methylenedioxybenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid, 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
| Molecular Formula | C20H17NO6 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1056 |
| Heavy Atoms | 27 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 21722-66-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC4=C(C=C3)OCO4)C=CC(=C2)OC)CC(=O)O |
| InChIKey | SRAJRUYJYFSKSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ID 955 (CAS 21722-66-7), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: 2-[1-(1,3-benzodioxole-5-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid.
Chemical Property Profile of ID 955
Property Insights of ID 955
The XLogP value of 3.5 indicates that ID 955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ID 955. Following Lipinski's Rule of Five, ID 955 has 1 hydrogen bond donor(s) and 6 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 ID 955?
The CAS number of ID 955 is 21722-66-7.
What is the molecular formula of ID 955?
The molecular formula of ID 955 is C20H17NO6.
What is the molecular weight of ID 955?
The molecular weight of ID 955 is 367.11 g/mol.
Where can I buy ID 955?
You can request a quote for ID 955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ID 955?
Yes, KEHONG BIO provides custom synthesis services for ID 955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.