2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)
TL;DR: 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) (CAS 77208-07-2) is a chemical compound with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(2-sulfanylacetyl)oxypropyl] 2-sulfanylacetate
Also Known As: 2,2-dimethyl-1,3-propanediylbis, 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate), 2,2-dimethylpropane-1,3-diyl bis(sulfanylacetate), [2,2-dimethyl-3-(2-sulfanylacetyl)oxypropyl] 2-sulfanylacetate, Bis(mercaptoacetic acid)2,2-dimethyl-1,3-propanediyl ester
| Molecular Formula | C9H16O4S2 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.049 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 77208-07-2 |
|---|---|
| SMILES | CC(C)(COC(=O)CS)COC(=O)CS |
| InChIKey | OSYHEIYTVIDDPX-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) (CAS 77208-07-2), with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol. IUPAC: [2,2-dimethyl-3-(2-sulfanylacetyl)oxypropyl] 2-sulfanylacetate.
Chemical Property Profile of 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)
Property Insights of 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate). With a topological polar surface area (TPSA) of 54.6 Ų, 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) 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 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)?
The CAS number of 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) is 77208-07-2.
What is the molecular formula of 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)?
The molecular formula of 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) is C9H16O4S2.
What is the molecular weight of 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)?
The molecular weight of 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) is 252.05 g/mol.
Where can I buy 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)?
You can request a quote for 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate)?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-propanediyl bis(mercaptoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.