2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide
TL;DR: 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide (CAS 18865-25-3) is a chemical compound with molecular formula C8H9O3PS and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
Also Known As: MTBO, 2-methylsulfanyl-4H-1,3,2, 2-Methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide, 2-(Methylthio)-4H-1,3,2-benzodioxaphosphorin 2-oxide, 4H-1,3,2-Benzodioxaphosphorin, 2-(methylthio)-, 2-oxide
| Molecular Formula | C8H9O3PS |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.001 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 18865-25-3 |
|---|---|
| SMILES | CSP1(=O)OCC2=CC=CC=C2O1 |
| InChIKey | GOAOHVJAXBHBBP-UHFFFAOYSA-N |
Product Overview
2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide (CAS 18865-25-3), with molecular formula C8H9O3PS and molecular weight 216.00 g/mol. IUPAC: 2-methylsulfanyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide.
Chemical Property Profile of 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide
Property Insights of 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide. Following Lipinski's Rule of Five, 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide has 0 hydrogen bond donor(s) and 4 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-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide?
The CAS number of 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide is 18865-25-3.
What is the molecular formula of 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide?
The molecular formula of 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide is C8H9O3PS.
What is the molecular weight of 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide?
The molecular weight of 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide is 216.00 g/mol.
Where can I buy 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide?
You can request a quote for 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-methylthio-4H-1,3,2-benzodioxaphosphorin 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.