3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide
TL;DR: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide (CAS 87579-55-3) is a chemical compound with molecular formula C7H15O4PS3 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfinyl]acetate
Also Known As: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide, methyl 2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfinyl]acetate, Methyl 4-methyl-7-oxo-4-sulfanylidene-3-oxa-5,7lambda~4~-dithia-4lambda~5~-phosphanonan-9-oate
| Molecular Formula | C7H15O4PS3 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.987 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 87579-55-3 |
|---|---|
| SMILES | CCOP(=S)(C)SCS(=O)CC(=O)OC |
| InChIKey | CILHPVLAXZMZHP-UHFFFAOYSA-N |
Product Overview
3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide (CAS 87579-55-3), with molecular formula C7H15O4PS3 and molecular weight 289.99 g/mol. IUPAC: methyl 2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfinyl]acetate.
Chemical Property Profile of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide
Property Insights of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide. The TPSA of 129.0 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,7-oxide 4-sulfide. Following Lipinski's Rule of Five, 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide 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,7-oxide 4-sulfide?
The CAS number of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide is 87579-55-3.
What is the molecular formula of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide?
The molecular formula of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide is C7H15O4PS3.
What is the molecular weight of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide?
The molecular weight of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide is 289.99 g/mol.
Where can I buy 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide?
You can request a quote for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide 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,7-oxide 4-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, methyl ester,7-oxide 4-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.