o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate
TL;DR: o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate (CAS 6316-60-5) is a chemical compound with molecular formula C17H21O3PS and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[(3-methylphenoxy)-propan-2-ylsulfanylphosphoryl]oxybenzene
Also Known As: o,o-bis(3-methylphenyl) s-propan-2-yl phosphorothioate, O,O-Bis(3-methylphenyl) S-(propan-2-yl) phosphorothioate, 1-methyl-3-[(3-methylphenoxy)-propan-2-ylsulfanyl-phosphoryl]oxy-benzene, 1-methyl-3-[(3-methylphenoxy)-propan-2-ylsulfanylphosphoryl]oxybenzene, Phosphorothioic acid, O,O-bis(3-methylphenyl) S-(1-methylethyl) ester
| Molecular Formula | C17H21O3PS |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.0949 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 6316-60-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)SC(C)C |
| InChIKey | GIXSGLLVGQJRBX-UHFFFAOYSA-N |
Product Overview
o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate (CAS 6316-60-5), with molecular formula C17H21O3PS and molecular weight 336.09 g/mol. IUPAC: 1-methyl-3-[(3-methylphenoxy)-propan-2-ylsulfanylphosphoryl]oxybenzene.
Chemical Property Profile of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate
Property Insights of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate
The XLogP value of 5.1 indicates that o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate. Following Lipinski's Rule of Five, o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate?
The CAS number of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate is 6316-60-5.
What is the molecular formula of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate?
The molecular formula of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate is C17H21O3PS.
What is the molecular weight of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate?
The molecular weight of o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate is 336.09 g/mol.
Where can I buy o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate?
You can request a quote for o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for o,o-Bis(3-methylphenyl) s-propan-2-yl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.