Bis(1-methyl-2-oxobutyl) disulfide
TL;DR: Bis(1-methyl-2-oxobutyl) disulfide (CAS 72771-07-4) is a chemical compound with molecular formula C10H18O2S2 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxopentan-2-yldisulfanyl)pentan-3-one
Also Known As: bis-3-pentanon-2-yl disulfide, 3-pentanone, 2,2'-dithiobis-, bis(1-methyl-2-oxobutyl) disulfide, Bis(1-methyl-2-oxobutyl) persulfide, bis-(1-Methyl-2-oxobutyl) disulfide, #1
| Molecular Formula | C10H18O2S2 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.07483 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 72771-07-4 |
|---|---|
| SMILES | CCC(=O)C(C)SSC(C)C(=O)CC |
| InChIKey | FNTKLKTYFGJEOS-UHFFFAOYSA-N |
Product Overview
Bis(1-methyl-2-oxobutyl) disulfide (CAS 72771-07-4), with molecular formula C10H18O2S2 and molecular weight 234.07 g/mol. IUPAC: 2-(3-oxopentan-2-yldisulfanyl)pentan-3-one.
Chemical Property Profile of Bis(1-methyl-2-oxobutyl) disulfide
Property Insights of Bis(1-methyl-2-oxobutyl) disulfide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1-methyl-2-oxobutyl) disulfide. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(1-methyl-2-oxobutyl) disulfide. Following Lipinski's Rule of Five, Bis(1-methyl-2-oxobutyl) disulfide has 0 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 Bis(1-methyl-2-oxobutyl) disulfide?
The CAS number of Bis(1-methyl-2-oxobutyl) disulfide is 72771-07-4.
What is the molecular formula of Bis(1-methyl-2-oxobutyl) disulfide?
The molecular formula of Bis(1-methyl-2-oxobutyl) disulfide is C10H18O2S2.
What is the molecular weight of Bis(1-methyl-2-oxobutyl) disulfide?
The molecular weight of Bis(1-methyl-2-oxobutyl) disulfide is 234.07 g/mol.
Where can I buy Bis(1-methyl-2-oxobutyl) disulfide?
You can request a quote for Bis(1-methyl-2-oxobutyl) disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-methyl-2-oxobutyl) disulfide?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-methyl-2-oxobutyl) disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.