Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester
TL;DR: Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester (CAS 136567-42-5) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(dimethylamino)-3-(1H-indol-3-yl)propanoate
Also Known As: N,N-Dimethyltryptophan methyl ester, N-dimethyltryptophan methylester, 2-hydroxybenzo[de]isoquinoline-1,3-dione, Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester, Methyl 2-(dimethylamino)-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 136567-42-5 |
|---|---|
| SMILES | CN(C)C(CC1=CNC2=CC=CC=C21)C(=O)OC |
| InChIKey | QFHMLRWKLHONAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester (CAS 136567-42-5), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: methyl 2-(dimethylamino)-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester
Property Insights of Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester. With a topological polar surface area (TPSA) of 45.3 Ų, Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester has 1 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 Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester?
The CAS number of Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester is 136567-42-5.
What is the molecular formula of Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester?
The molecular formula of Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester is C14H18N2O2.
What is the molecular weight of Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester?
The molecular weight of Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester is 246.14 g/mol.
Where can I buy Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester?
You can request a quote for Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-dimethylamino-3-(3-indolyl), methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.