1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester
TL;DR: 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester (CAS 75511-25-0) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)acetyl]oxyacetic acid
Also Known As: Desmethyldeschlorobenzoylacemetacin, Carboxymethyl 5-hydroxy-2-methyl-1H-indole-3-acetate, 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester, {[(5-Hydroxy-2-methyl-1H-indol-3-yl)acetyl]oxy}acetic acid, 2-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)acetyl]oxyacetic acid
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.35222 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 643.7662 |
Chemical Identifiers
| CAS Number | 75511-25-0 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)O)CC(=O)OCC(=O)O |
Product Overview
1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester (CAS 75511-25-0), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: 2-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)acetyl]oxyacetic acid.
Chemical Property Profile of 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester
Property Insights of 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester
The XLogP value of 1.35222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester. The TPSA of 99.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester. Following Lipinski's Rule of Five, 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester has 3 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 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester?
The CAS number of 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester is 75511-25-0.
What is the molecular formula of 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester?
The molecular formula of 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester is C13H13NO5.
What is the molecular weight of 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester?
The molecular weight of 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester is 263.08 g/mol.
Where can I buy 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester?
You can request a quote for 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-, carboxymethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.