![3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid structure](/static/products/4025/40252-82-2.webp)
3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid
TL;DR: 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid (CAS 40252-82-2) is a chemical compound with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1-carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid
Also Known As: 3-[2-(1-carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3, 3,3'-[Ethane-1,2-diylbis(sulfanediyl)]bis(3-methylbutanoic acid), 3-[2-(1-carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid, 3-[2-(4-hydroxy-2-methyl-4-oxobutan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid
| Molecular Formula | C12H22O4S2 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 294.09595 |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 40252-82-2 |
|---|---|
| SMILES | CC(C)(CC(=O)O)SCCSC(C)(C)CC(=O)O |
| InChIKey | FKZUGADMHHPYAR-UHFFFAOYSA-N |
Product Overview
3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid (CAS 40252-82-2), with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol. IUPAC: 3-[2-(1-carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid.
Chemical Property Profile of 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid
Property Insights of 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid. Following Lipinski's Rule of Five, 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 6 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-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid?
The CAS number of 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid is 40252-82-2.
What is the molecular formula of 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid?
The molecular formula of 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid is C12H22O4S2.
What is the molecular weight of 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid?
The molecular weight of 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid is 294.10 g/mol.
Where can I buy 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid?
You can request a quote for 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic 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-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(1-Carboxy-2-methylpropan-2-yl)sulfanylethylsulfanyl]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.