2-Methyl-1,3-dithiolane-2-propionic acid
TL;DR: 2-Methyl-1,3-dithiolane-2-propionic acid (CAS 54717-84-9) is a chemical compound with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-1,3-dithiolan-2-yl)propanoic acid
Also Known As: 3-(2-methyl-1,3-dithiolan-2-yl)propanoic Acid, 2-methyl-1,3-dithiolane-2-propionic acid, J1.977.524K, 663-155-9, RefChem:474779
| Molecular Formula | C7H12O2S2 |
|---|---|
| Molecular Weight | 192.03 g/mol |
| LogP | 2.0474 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.02788 |
| Heavy Atoms | 11 |
| Complexity | 152.51956 |
Chemical Identifiers
| CAS Number | 54717-84-9 |
|---|---|
| SMILES | CC1(SCCS1)CCC(=O)O |
Product Overview
2-Methyl-1,3-dithiolane-2-propionic acid (CAS 54717-84-9), with molecular formula C7H12O2S2 and molecular weight 192.03 g/mol. IUPAC: 3-(2-methyl-1,3-dithiolan-2-yl)propanoic acid.
Chemical Property Profile of 2-Methyl-1,3-dithiolane-2-propionic acid
Property Insights of 2-Methyl-1,3-dithiolane-2-propionic acid
The XLogP value of 2.0474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,3-dithiolane-2-propionic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methyl-1,3-dithiolane-2-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,3-dithiolane-2-propionic acid has 1 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 2-Methyl-1,3-dithiolane-2-propionic acid?
The CAS number of 2-Methyl-1,3-dithiolane-2-propionic acid is 54717-84-9.
What is the molecular formula of 2-Methyl-1,3-dithiolane-2-propionic acid?
The molecular formula of 2-Methyl-1,3-dithiolane-2-propionic acid is C7H12O2S2.
What is the molecular weight of 2-Methyl-1,3-dithiolane-2-propionic acid?
The molecular weight of 2-Methyl-1,3-dithiolane-2-propionic acid is 192.03 g/mol.
Where can I buy 2-Methyl-1,3-dithiolane-2-propionic acid?
You can request a quote for 2-Methyl-1,3-dithiolane-2-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-Methyl-1,3-dithiolane-2-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,3-dithiolane-2-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.