5-Dimethylsulfoniopentanoate
TL;DR: 5-Dimethylsulfoniopentanoate (CAS 78774-48-8) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-dimethylsulfoniopentanoate
Also Known As: 5-Dimethylsulfoniopentanoate, 5-(DIMETHYLSULFANIUMYL)PENTANOATE, 5-(Dimethylsulfonio)valeric acid anion, Sulfonium,(4-carboxybutyl)dimethyl-, inner salt, (4-Carboxybutyl)dimethylsulfonium hydroxide, inner salt
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | -0.2155 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 101.77923 |
Chemical Identifiers
| CAS Number | 78774-48-8 |
|---|---|
| SMILES | C[S+](C)CCCCC(=O)[O-] |
Product Overview
5-Dimethylsulfoniopentanoate (CAS 78774-48-8), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: 5-dimethylsulfoniopentanoate.
Chemical Property Profile of 5-Dimethylsulfoniopentanoate
Property Insights of 5-Dimethylsulfoniopentanoate
The XLogP value of -0.2155 indicates that 5-Dimethylsulfoniopentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, 5-Dimethylsulfoniopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Dimethylsulfoniopentanoate has 0 hydrogen bond donor(s) and 2 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 5-Dimethylsulfoniopentanoate?
The CAS number of 5-Dimethylsulfoniopentanoate is 78774-48-8.
What is the molecular formula of 5-Dimethylsulfoniopentanoate?
The molecular formula of 5-Dimethylsulfoniopentanoate is C7H14O2S.
What is the molecular weight of 5-Dimethylsulfoniopentanoate?
The molecular weight of 5-Dimethylsulfoniopentanoate is 162.07 g/mol.
Where can I buy 5-Dimethylsulfoniopentanoate?
You can request a quote for 5-Dimethylsulfoniopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Dimethylsulfoniopentanoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Dimethylsulfoniopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.