3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide
TL;DR: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide (CAS 87579-56-4) is a chemical compound with molecular formula C7H15O5PS2 and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfinyl]acetate
Also Known As: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide, methyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfinyl]acetate, Methyl 4-methyl-4,7-dioxo-3-oxa-5,7lambda~4~-dithia-4lambda~5~-phosphanonan-9-oate
| Molecular Formula | C7H15O5PS2 |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 274.00986 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 87579-56-4 |
|---|---|
| SMILES | CCOP(=O)(C)SCS(=O)CC(=O)OC |
| InChIKey | POZODRSOCWXYCG-UHFFFAOYSA-N |
Product Overview
3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide (CAS 87579-56-4), with molecular formula C7H15O5PS2 and molecular weight 274.01 g/mol. IUPAC: methyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfinyl]acetate.
Chemical Property Profile of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide
Property Insights of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide
The XLogP value of -0.6 indicates that 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide. Following Lipinski's Rule of Five, 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide has 0 hydrogen bond donor(s) and 7 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 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide?
The CAS number of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide is 87579-56-4.
What is the molecular formula of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide?
The molecular formula of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide is C7H15O5PS2.
What is the molecular weight of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide?
The molecular weight of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide is 274.01 g/mol.
Where can I buy 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide?
You can request a quote for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,4,7-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.