Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester
TL;DR: Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester (CAS 20707-94-2) is a chemical compound with molecular formula C8H14O4S3 and molecular weight 270.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-methoxy-3-oxopropyl)trisulfanyl]propanoate
Also Known As: Dimethyl 3,3'-trithiodipropionate, Dimethyl 3,3'-trithiobispropionate, dimethyl3,3'-trithiobispropionate, dimethyl 3,3'-trisulfanediyldipropanoate, Bis(3-oxo-3-methoxypropyl) pertrisulfide
| Molecular Formula | C8H14O4S3 |
|---|---|
| Molecular Weight | 270.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 270.00543 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 20707-94-2 |
|---|---|
| SMILES | COC(=O)CCSSSCCC(=O)OC |
| InChIKey | PMGSPGRHLCPBHN-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester (CAS 20707-94-2), with molecular formula C8H14O4S3 and molecular weight 270.01 g/mol. IUPAC: methyl 3-[(3-methoxy-3-oxopropyl)trisulfanyl]propanoate.
Chemical Property Profile of Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester
Property Insights of Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester has 0 hydrogen bond donor(s) and 7 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 Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester?
The CAS number of Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester is 20707-94-2.
What is the molecular formula of Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester?
The molecular formula of Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester is C8H14O4S3.
What is the molecular weight of Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester?
The molecular weight of Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester is 270.01 g/mol.
Where can I buy Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester?
You can request a quote for Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3,3'-trithiobis-, 1,1'-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.