2-Mercapto-3-(5-imidazolyl)propionic acid
TL;DR: 2-Mercapto-3-(5-imidazolyl)propionic acid (CAS 67047-27-2) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-imidazol-5-yl)-2-sulfanylpropanoic acid
Also Known As: 3-oxooxetane, 2-Mercapto-3-(5-imidazolyl)propionic acid, 3-(1H-imidazol-5-yl)-2-sulfanylpropanoic acid, 3-(1H-Imidazol-5-yl)-2-mercaptopropanoic acid, 3-(3H-imidazol-4-yl)-2-sulfanyl-propanoic acid
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 67047-27-2 |
|---|---|
| SMILES | C1=C(NC=N1)CC(C(=O)O)S |
| InChIKey | XFOMEKQNVWAHBI-UHFFFAOYSA-N |
Product Overview
2-Mercapto-3-(5-imidazolyl)propionic acid (CAS 67047-27-2), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: 3-(1H-imidazol-5-yl)-2-sulfanylpropanoic acid.
Chemical Property Profile of 2-Mercapto-3-(5-imidazolyl)propionic acid
Property Insights of 2-Mercapto-3-(5-imidazolyl)propionic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-3-(5-imidazolyl)propionic acid. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercapto-3-(5-imidazolyl)propionic acid. Following Lipinski's Rule of Five, 2-Mercapto-3-(5-imidazolyl)propionic acid 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 2-Mercapto-3-(5-imidazolyl)propionic acid?
The CAS number of 2-Mercapto-3-(5-imidazolyl)propionic acid is 67047-27-2.
What is the molecular formula of 2-Mercapto-3-(5-imidazolyl)propionic acid?
The molecular formula of 2-Mercapto-3-(5-imidazolyl)propionic acid is C6H8N2O2S.
What is the molecular weight of 2-Mercapto-3-(5-imidazolyl)propionic acid?
The molecular weight of 2-Mercapto-3-(5-imidazolyl)propionic acid is 172.03 g/mol.
Where can I buy 2-Mercapto-3-(5-imidazolyl)propionic acid?
You can request a quote for 2-Mercapto-3-(5-imidazolyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-3-(5-imidazolyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-(5-imidazolyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.