Oftanol C
TL;DR: Oftanol C (CAS 74725-95-4) is a chemical compound with molecular formula C24H32Cl3N2O6PS2 and molecular weight 644.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: Oftanol C, Benzoic acid, 2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy)-, 1-methylethyl ester, mixt with 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione, propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, Propan-2-yl 2-({ethoxy[(propan-2-yl)amino]phosphorothioyl}oxy)benzoate--2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (1/1), propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate; 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C24H32Cl3N2O6PS2 |
|---|---|
| Molecular Weight | 644.05 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 644.0505 |
| Heavy Atoms | 38 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 74725-95-4 |
|---|---|
| SMILES | CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C.C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl |
| InChIKey | OWMVJPNBKLYFCG-UHFFFAOYSA-N |
Product Overview
Oftanol C (CAS 74725-95-4), with molecular formula C24H32Cl3N2O6PS2 and molecular weight 644.05 g/mol. IUPAC: propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of Oftanol C
Property Insights of Oftanol C
The XLogP value of 6.8 indicates that Oftanol C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Oftanol C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oftanol C has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oftanol C?
The CAS number of Oftanol C is 74725-95-4.
What is the molecular formula of Oftanol C?
The molecular formula of Oftanol C is C24H32Cl3N2O6PS2.
What is the molecular weight of Oftanol C?
The molecular weight of Oftanol C is 644.05 g/mol.
Where can I buy Oftanol C?
You can request a quote for Oftanol C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oftanol C?
Yes, KEHONG BIO provides custom synthesis services for Oftanol C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.