Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate
TL;DR: Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate (CAS 72720-14-0) is a chemical compound with molecular formula C13H27O4PS2 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[methyl(octoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
Also Known As: methyl 2-[[methyl(octoxy)phosphoryl]sulfanylmethylsulfanyl]acetate, Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-octyl methylphosphonothioate, Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate, ACETIC ACID, 2-(MERCAPTOMETHYLTHIO)-, METHYL ESTER, S-ESTER with O-OCTYL METHYLP, RefChem:1089510
| Molecular Formula | C13H27O4PS2 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 342.10883 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 72720-14-0 |
|---|---|
| SMILES | CCCCCCCCOP(=O)(C)SCSCC(=O)OC |
| InChIKey | BCYATZDLGYZPKA-UHFFFAOYSA-N |
Product Overview
Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate (CAS 72720-14-0), with molecular formula C13H27O4PS2 and molecular weight 342.11 g/mol. IUPAC: methyl 2-[[methyl(octoxy)phosphoryl]sulfanylmethylsulfanyl]acetate.
Chemical Property Profile of Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate
Property Insights of Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate
The XLogP value of 4.0 indicates that Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate. Following Lipinski's Rule of Five, Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-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 Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate?
The CAS number of Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate is 72720-14-0.
What is the molecular formula of Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate?
The molecular formula of Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate is C13H27O4PS2.
What is the molecular weight of Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate?
The molecular weight of Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate is 342.11 g/mol.
Where can I buy Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate?
You can request a quote for Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.