3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid
TL;DR: 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid (CAS 73816-55-4) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid
Also Known As: 2-Methyl-2,3,3a,7a-tetrahydro-3-indolepropionic acid, 3-(2-methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid, 3-INDOLEPROPIONIC ACID, 2,3,3a,7a-TETRAHYDRO-2-METHYL-, 1H-Indole-3-propanoic acid, 2,3,3a,7a-tetrahydro-2-methyl-, RefChem:1066547
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 73816-55-4 |
|---|---|
| SMILES | CC1C(C2C=CC=CC2N1)CCC(=O)O |
| InChIKey | JLKHCCZVVNZEAA-UHFFFAOYSA-N |
Product Overview
3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid (CAS 73816-55-4), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 3-(2-methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid.
Chemical Property Profile of 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid
Property Insights of 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid
The XLogP value of -0.9 indicates that 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid 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 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid?
The CAS number of 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid is 73816-55-4.
What is the molecular formula of 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid?
The molecular formula of 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid is C12H17NO2.
What is the molecular weight of 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid?
The molecular weight of 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid is 207.13 g/mol.
Where can I buy 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid?
You can request a quote for 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.