1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide
TL;DR: 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide (CAS 33719-81-2) is a chemical compound with molecular formula C12H17O3PS and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-2-phenoxy-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
Also Known As: 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide, 4,4,6-trimethyl-2-phenoxy-2-sulfanylidene-1,3,2, 4,4,6-Trimethyl-2-phenoxy-1,3,2-dioxaphosphorinane2-sulfide, 4,4,6-Trimethyl-2-phenoxy-1,3,2-dioxaphosphorinane 2-sulfide, Phosphorothioic acid, cyclic O,O-(1,1,3-trimethyltrimethylene) O-phenyl ester
| Molecular Formula | C12H17O3PS |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0636 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 33719-81-2 |
|---|---|
| SMILES | CC1CC(OP(=S)(O1)OC2=CC=CC=C2)(C)C |
| InChIKey | FDATUDJFWDCIJN-UHFFFAOYSA-N |
Product Overview
1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide (CAS 33719-81-2), with molecular formula C12H17O3PS and molecular weight 272.06 g/mol. IUPAC: 4,4,6-trimethyl-2-phenoxy-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
Chemical Property Profile of 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide
Property Insights of 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide
The XLogP value of 4.2 indicates that 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide 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 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide?
The CAS number of 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide is 33719-81-2.
What is the molecular formula of 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide?
The molecular formula of 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide is C12H17O3PS.
What is the molecular weight of 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide?
The molecular weight of 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide is 272.06 g/mol.
Where can I buy 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide?
You can request a quote for 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Dioxaphosphorinane, 4,4,6-trimethyl-2-phenoxy-, 2-sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.