Methyl indole-3-lactate
TL;DR: Methyl indole-3-lactate (CAS 18372-16-2) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3-(1H-indol-3-yl)propanoate
Also Known As: Methyl indole-3-lactate, Methyl 2-hydroxy-3-(1H-indol-3-yl)propanoate, Indole-3-lactic acid, methyl ester, DL-Indole-3-lactic Acid Methyl Ester, INDOLE-3-LACTIC ACID METHYL ESTER
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 18372-16-2 |
|---|---|
| SMILES | COC(=O)C(CC1=CNC2=CC=CC=C21)O |
| InChIKey | YHKXBTJWCNPFQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl indole-3-lactate (CAS 18372-16-2), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: methyl 2-hydroxy-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Methyl indole-3-lactate
Property Insights of Methyl indole-3-lactate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl indole-3-lactate. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl indole-3-lactate. Following Lipinski's Rule of Five, Methyl indole-3-lactate has 2 hydrogen bond donor(s) and 3 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 Methyl indole-3-lactate?
The CAS number of Methyl indole-3-lactate is 18372-16-2.
What is the molecular formula of Methyl indole-3-lactate?
The molecular formula of Methyl indole-3-lactate is C12H13NO3.
What is the molecular weight of Methyl indole-3-lactate?
The molecular weight of Methyl indole-3-lactate is 219.09 g/mol.
Where can I buy Methyl indole-3-lactate?
You can request a quote for Methyl indole-3-lactate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl indole-3-lactate?
Yes, KEHONG BIO provides custom synthesis services for Methyl indole-3-lactate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.