Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate
TL;DR: Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate (CAS 102585-58-0) is a chemical compound with molecular formula C9H19O4PS2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Also Known As: butyl 2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate, Acetic acid, 2-(mercaptomethylthio)-, butyl ester, S-ester with O-methyl methylphosphonothioate, Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate, butyl 3-methyl-2-oxa-4,6-dithia-3-phosphaoctan-8-oate 3-oxide, ACETIC ACID, 2-(MERCAPTOMETHYLTHIO)-, BUTYL ESTER, S-ESTER with O-METHYL METHYLP
| Molecular Formula | C9H19O4PS2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 286.04623 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 102585-58-0 |
|---|---|
| SMILES | CCCCOC(=O)CSCSP(=O)(C)OC |
| InChIKey | IEDWEXVGQOCECJ-UHFFFAOYSA-N |
Product Overview
Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate (CAS 102585-58-0), with molecular formula C9H19O4PS2 and molecular weight 286.05 g/mol. IUPAC: butyl 2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate
Property Insights of Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate. Following Lipinski's Rule of Five, Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate 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 Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate?
The CAS number of Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate is 102585-58-0.
What is the molecular formula of Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate?
The molecular formula of Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate is C9H19O4PS2.
What is the molecular weight of Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate?
The molecular weight of Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate is 286.05 g/mol.
Where can I buy Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate?
You can request a quote for Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.