Socketol
TL;DR: Socketol (CAS 85903-63-5) is a chemical compound with molecular formula C35H50N2O6 and molecular weight 594.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Also Known As: Socketol, Lidocaine Mixture With Prednisolone, 1-chloro-3-{[(e)-phenylmethylidene]amino}propan-2-ol, 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one, (Diethylamino)-N-(2,6-dimethylphenyl)ethanimidic acid--11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione (1/1)
| Molecular Formula | C35H50N2O6 |
|---|---|
| Molecular Weight | 594.37 g/mol |
| LogP | 4.14134 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.3669 |
| Heavy Atoms | 43 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 85903-63-5 |
|---|---|
| SMILES | CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O |
| InChIKey | MWXJEBDNKKZESE-WDCKKOMHSA-N |
Product Overview
Socketol (CAS 85903-63-5), with molecular formula C35H50N2O6 and molecular weight 594.37 g/mol. IUPAC: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Socketol
Property Insights of Socketol
The XLogP value of 4.14134 indicates that Socketol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Socketol. Following Lipinski's Rule of Five, Socketol has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Socketol?
The CAS number of Socketol is 85903-63-5.
What is the molecular formula of Socketol?
The molecular formula of Socketol is C35H50N2O6.
What is the molecular weight of Socketol?
The molecular weight of Socketol is 594.37 g/mol.
Where can I buy Socketol?
You can request a quote for Socketol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Socketol?
Yes, KEHONG BIO provides custom synthesis services for Socketol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.