RefChem:1099207
TL;DR: RefChem:1099207 (CAS 64036-97-1) is a chemical compound with molecular formula C12H28BrO3PS3 and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanylethyl-ethyl-(2-ethylsulfanylethyl)sulfanium bromide
Also Known As: Sulfonium, ethyl(2-(S-(O,O-diethylphosphorothio))ethyl)(2-(ethylthio)ethyl)-, bromide, Sulfonium, ethyl(2-mercaptoethyl)(2-(ethylthio)ethyl)-, bromide, S-ester with O,O-diethylphosphorothioate, 2-diethoxyphosphorylsulfanylethyl-ethyl-(2-ethylsulfanylethyl)sulfanium bromide, 4-Ethoxy-8-ethyl-4-oxo-3-oxa-5,11-dithia-8-thionia-4lambda~5~-phosphatridecane bromide, Sulfonium, [2-[(diethoxyphosphinyl)thio]ethyl]ethyl[2-(ethylthio)ethyl]-, bromide
| Molecular Formula | C12H28BrO3PS3 |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 426.01215 |
| Heavy Atoms | 20 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 64036-97-1 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC[S+](CC)CCSCC.[Br-] |
| InChIKey | YBFQTSQOZQISTD-UHFFFAOYSA-M |
Product Overview
RefChem:1099207 (CAS 64036-97-1), with molecular formula C12H28BrO3PS3 and molecular weight 426.01 g/mol. IUPAC: 2-diethoxyphosphorylsulfanylethyl-ethyl-(2-ethylsulfanylethyl)sulfanium bromide.
Chemical Property Profile of RefChem:1099207
Property Insights of RefChem:1099207
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099207. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099207. Following Lipinski's Rule of Five, RefChem:1099207 has 0 hydrogen bond donor(s) and 6 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 RefChem:1099207?
The CAS number of RefChem:1099207 is 64036-97-1.
What is the molecular formula of RefChem:1099207?
The molecular formula of RefChem:1099207 is C12H28BrO3PS3.
What is the molecular weight of RefChem:1099207?
The molecular weight of RefChem:1099207 is 426.01 g/mol.
Where can I buy RefChem:1099207?
You can request a quote for RefChem:1099207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099207?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.