N-Indolylacetyl-beta-alanine
TL;DR: N-Indolylacetyl-beta-alanine (CAS 66451-70-5) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
Also Known As: N-Indolylacetyl-beta-alanine, N-(1H-Indol-3-ylacetyl)-beta-alanine, N-(1H-Indole-3-ylacetyl)-beta-alanine, N-(1H-Indol-3-ylacetyl)-beta-alanine #, 3-(2-(1H-Indol-3-yl)acetamido)propanoic acid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 66451-70-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC(=O)NCCC(=O)O |
| InChIKey | ZXSGFGTUYKNDSQ-UHFFFAOYSA-N |
Product Overview
N-Indolylacetyl-beta-alanine (CAS 66451-70-5), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid.
Chemical Property Profile of N-Indolylacetyl-beta-alanine
Property Insights of N-Indolylacetyl-beta-alanine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Indolylacetyl-beta-alanine. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Indolylacetyl-beta-alanine. Following Lipinski's Rule of Five, N-Indolylacetyl-beta-alanine has 3 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 N-Indolylacetyl-beta-alanine?
The CAS number of N-Indolylacetyl-beta-alanine is 66451-70-5.
What is the molecular formula of N-Indolylacetyl-beta-alanine?
The molecular formula of N-Indolylacetyl-beta-alanine is C13H14N2O3.
What is the molecular weight of N-Indolylacetyl-beta-alanine?
The molecular weight of N-Indolylacetyl-beta-alanine is 246.10 g/mol.
Where can I buy N-Indolylacetyl-beta-alanine?
You can request a quote for N-Indolylacetyl-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Indolylacetyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-Indolylacetyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.