2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
TL;DR: 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate (CAS 74789-26-7) is a chemical compound with molecular formula C10H21O4PS2 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Also Known As: 2-Methylpropyl2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate, Acetic acid, 2-(mercaptomethylthio)-, isobutyl ester, S-ester with O-ethyl methylphosphonothioate, 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate, 2-methylpropyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate, ACETIC ACID, 2-(MERCAPTOMETHYLTHIO)-, ISOBUTYL ESTER, S-ESTER with O-ETHYL METHY
| Molecular Formula | C10H21O4PS2 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 300.0619 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 74789-26-7 |
|---|---|
| SMILES | CCOP(=O)(C)SCSCC(=O)OCC(C)C |
| InChIKey | GHJWTYNHMYSYQS-UHFFFAOYSA-N |
Product Overview
2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate (CAS 74789-26-7), with molecular formula C10H21O4PS2 and molecular weight 300.06 g/mol. IUPAC: 2-methylpropyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
Property Insights of 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate. Following Lipinski's Rule of Five, 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-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 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate?
The CAS number of 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate is 74789-26-7.
What is the molecular formula of 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate?
The molecular formula of 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate is C10H21O4PS2.
What is the molecular weight of 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate?
The molecular weight of 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate is 300.06 g/mol.
Where can I buy 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate?
You can request a quote for 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.