RefChem:1074426
TL;DR: RefChem:1074426 (CAS 64036-98-2) is a chemical compound with molecular formula C10H24BrO3PS3 and molecular weight 397.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dimethoxyphosphorylsulfanylethyl-ethyl-(2-ethylsulfanylethyl)sulfanium bromide
Also Known As: Sulfonium, ethyl(2-(S-(O,O-dimethylphosphorothio))ethyl)(2-(ethylthio)ethyl)-, bromide, Sulfonium, ethyl(2-mercaptoethyl)(2-(ethylthio)ethyl)-, bromide, S-ester with O,O-dimethylphosphorothioate, 7-Ethyl-3-methoxy-3-oxo-2-oxa-4,10-dithia-7-thionia-3lambda~5~-phosphadodecane bromide, 2-dimethoxyphosphorylsulfanylethyl-ethyl-(2-ethylsulfanylethyl)sulfanium bromide, Sulfonium, [2-[(dimethoxyphosphinyl)thio]ethyl]ethyl[2-(ethylthio)ethyl]-, bromide
| Molecular Formula | C10H24BrO3PS3 |
|---|---|
| Molecular Weight | 397.98 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.98087 |
| Heavy Atoms | 18 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 64036-98-2 |
|---|---|
| SMILES | CCSCC[S+](CC)CCSP(=O)(OC)OC.[Br-] |
| InChIKey | GUNXSNNFSDSHBI-UHFFFAOYSA-M |
Product Overview
RefChem:1074426 (CAS 64036-98-2), with molecular formula C10H24BrO3PS3 and molecular weight 397.98 g/mol. IUPAC: 2-dimethoxyphosphorylsulfanylethyl-ethyl-(2-ethylsulfanylethyl)sulfanium bromide.
Chemical Property Profile of RefChem:1074426
Property Insights of RefChem:1074426
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074426. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074426. Following Lipinski's Rule of Five, RefChem:1074426 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:1074426?
The CAS number of RefChem:1074426 is 64036-98-2.
What is the molecular formula of RefChem:1074426?
The molecular formula of RefChem:1074426 is C10H24BrO3PS3.
What is the molecular weight of RefChem:1074426?
The molecular weight of RefChem:1074426 is 397.98 g/mol.
Where can I buy RefChem:1074426?
You can request a quote for RefChem:1074426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074426?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.