二异丁基硫代磷酸酯
TL;DR: 二异丁基硫代磷酸酯 (CAS 20822-30-4) is a chemical compound with molecular formula C9H21O3PS and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二异丁基硫代磷酸酯
1-[butoxy(methylsulfanyl)phosphoryl]oxybutane
Also Known As: Di-iso-butyl thiolophosphate, MixCom6_002555, dibutyl (methylsulfanyl)phosphonate, O,O-dibutyl S-methyl phosphorothioate, BIM-0047351.P001
| Molecular Formula | C9H21O3PS |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.09491 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 20822-30-4 |
|---|---|
| SMILES | CCCCOP(=O)(OCCCC)SC |
| InChIKey | CYPFULFQUZPOQG-UHFFFAOYSA-N |
Product Overview
二异丁基硫代磷酸酯 (CAS 20822-30-4), with molecular formula C9H21O3PS and molecular weight 240.09 g/mol. IUPAC: 1-[butoxy(methylsulfanyl)phosphoryl]oxybutane.
Chemical Property Profile of 二异丁基硫代磷酸酯
Property Insights of 二异丁基硫代磷酸酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二异丁基硫代磷酸酯. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 二异丁基硫代磷酸酯. Following Lipinski's Rule of Five, 二异丁基硫代磷酸酯 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 二异丁基硫代磷酸酯?
The CAS number of 二异丁基硫代磷酸酯 is 20822-30-4.
What is the molecular formula of 二异丁基硫代磷酸酯?
The molecular formula of 二异丁基硫代磷酸酯 is C9H21O3PS.
What is the molecular weight of 二异丁基硫代磷酸酯?
The molecular weight of 二异丁基硫代磷酸酯 is 240.09 g/mol.
Where can I buy 二异丁基硫代磷酸酯?
You can request a quote for 二异丁基硫代磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二异丁基硫代磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二异丁基硫代磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.