巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯
TL;DR: 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 (CAS 17581-48-5) is a chemical compound with molecular formula C12H23O4PS3 and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯
diethyl 2-[methyl(propylsulfanyl)phosphinothioyl]sulfanylbutanedioate
Also Known As: Decane,hexachloro, Mobil VC 3-789, V-C Chemical 3-789, Virginia carolina 3-789, Mobil VC-3-789
| Molecular Formula | C12H23O4PS3 |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 358.04962 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 17581-48-5 |
|---|---|
| SMILES | CCCSP(=S)(C)SC(CC(=O)OCC)C(=O)OCC |
| InChIKey | HEVMDYMGSQFFHE-UHFFFAOYSA-N |
Product Overview
巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 (CAS 17581-48-5), with molecular formula C12H23O4PS3 and molecular weight 358.05 g/mol. IUPAC: diethyl 2-[methyl(propylsulfanyl)phosphinothioyl]sulfanylbutanedioate.
Chemical Property Profile of 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯
Property Insights of 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯
The XLogP value of 3.6 indicates that 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯. Following Lipinski's Rule of Five, 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 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 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯?
The CAS number of 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 is 17581-48-5.
What is the molecular formula of 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯?
The molecular formula of 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 is C12H23O4PS3.
What is the molecular weight of 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯?
The molecular weight of 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 is 358.05 g/mol.
Where can I buy 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯?
You can request a quote for 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯?
Yes, KEHONG BIO provides custom synthesis services for 巯基丁二酸二乙酯丙基甲基硫代膦酸三硫酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.