3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide
TL;DR: 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide (CAS 87579-57-5) is a chemical compound with molecular formula C6H13O3PS3 and molecular weight 259.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfanyl]acetic acid
Also Known As: 1H-Indole, 4-(3-piperidinyl)-, (S)-, 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide, 2-[(ethoxy-methyl-phosphinothioyl)sulfanylmethylsulfanyl]acetic acid, 2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfanyl]acetic acid, 4-Methyl-4-sulfanylidene-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oic acid
| Molecular Formula | C6H13O3PS3 |
|---|---|
| Molecular Weight | 259.98 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 259.97644 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 87579-57-5 |
|---|---|
| SMILES | CCOP(=S)(C)SCSCC(=O)O |
| InChIKey | INQUYKDGLPCZKL-UHFFFAOYSA-N |
Product Overview
3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide (CAS 87579-57-5), with molecular formula C6H13O3PS3 and molecular weight 259.98 g/mol. IUPAC: 2-[[ethoxy(methyl)phosphinothioyl]sulfanylmethylsulfanyl]acetic acid.
Chemical Property Profile of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide
Property Insights of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 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-, 4-sulfide. Following Lipinski's Rule of Five, 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide has 1 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 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide?
The CAS number of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide is 87579-57-5.
What is the molecular formula of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide?
The molecular formula of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide is C6H13O3PS3.
What is the molecular weight of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide?
The molecular weight of 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide is 259.98 g/mol.
Where can I buy 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide?
You can request a quote for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 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-, 4-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-methyl-, 4-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.