Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester
TL;DR: Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester (CAS 57807-89-3) is a chemical compound with molecular formula C12H25ClO2SSn and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-[chloro(dimethyl)stannyl]sulfanylacetate
Also Known As: 6-methylheptyl 2-[chloro(dimethyl)stannyl]sulfanylacetate, Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester, Acetic acid, [(chlorodimethylstannyl)thio]-, 6-methylheptyl ester, IUPAC: Chloro-dimethyl-tin; 6-methylheptoxycarbonylmethanethiolate
| Molecular Formula | C12H25ClO2SSn |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 4.42 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 388.0286 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 57807-89-3 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CS[Sn](C)(C)Cl |
| InChIKey | VKCCRCOUXQNYSA-UHFFFAOYSA-L |
Product Overview
Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester (CAS 57807-89-3), with molecular formula C12H25ClO2SSn and molecular weight 388.03 g/mol. IUPAC: 6-methylheptyl 2-[chloro(dimethyl)stannyl]sulfanylacetate.
Chemical Property Profile of Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester
Property Insights of Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester
The XLogP value of 4.42 indicates that Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester has 0 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 Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester?
The CAS number of Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester is 57807-89-3.
What is the molecular formula of Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester?
The molecular formula of Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester is C12H25ClO2SSn.
What is the molecular weight of Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester?
The molecular weight of Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester is 388.03 g/mol.
Where can I buy Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester?
You can request a quote for Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((chlorodimethylstannyl)thio)-, isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.