2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid
TL;DR: 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid (CAS 2812-23-9) is a chemical compound with molecular formula C7H15NO2S and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)-4-methylsulfanylbutanoic acid
Also Known As: Dimethylmethionine, Methionine Impurity 4, N,N,S-trimethylhomocysteine, 2-(dimethylamino)-4-(methylsulfanyl)butanoic acid, methionine, n,n-dimethyl-, dl- (8ci)
| Molecular Formula | C7H15NO2S |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.08235 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 2812-23-9 |
|---|---|
| SMILES | CN(C)C(CCSC)C(=O)O |
| InChIKey | FLEXUHXAXRFRAU-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid (CAS 2812-23-9), with molecular formula C7H15NO2S and molecular weight 177.08 g/mol. IUPAC: 2-(dimethylamino)-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid
Property Insights of 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid
The XLogP value of -1.4 indicates that 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid has 1 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-(Dimethylamino)-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid is 2812-23-9.
What is the molecular formula of 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid is C7H15NO2S.
What is the molecular weight of 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid is 177.08 g/mol.
Where can I buy 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.