Presocyl
TL;DR: Presocyl (CAS 78456-99-2) is a chemical compound with molecular formula C48H62ClN3O9 and molecular weight 859.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;(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: Presocyl, Aspirin mixture with chloroquine and prednisolone, 2-acetyloxybenzoic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;(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, 2-acetyloxybenzoic acid,4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine,(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, 2-acetyloxybenzoic acid; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; (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
| Molecular Formula | C48H62ClN3O9 |
|---|---|
| Molecular Weight | 859.42 g/mol |
| LogP | 7.6783 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 859.4175 |
| Heavy Atoms | 61 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 78456-99-2 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(=O)OC1=CC=CC=C1C(=O)O.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 | AJJJNPUIWCOZQN-OJJGEMKLSA-N |
Product Overview
Presocyl (CAS 78456-99-2), with molecular formula C48H62ClN3O9 and molecular weight 859.42 g/mol. IUPAC: 2-acetyloxybenzoic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;(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 Presocyl
Property Insights of Presocyl
The XLogP value of 7.6783 indicates that Presocyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.0 Ų indicates high polarity, suggesting Presocyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Presocyl has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Presocyl?
The CAS number of Presocyl is 78456-99-2.
What is the molecular formula of Presocyl?
The molecular formula of Presocyl is C48H62ClN3O9.
What is the molecular weight of Presocyl?
The molecular weight of Presocyl is 859.42 g/mol.
Where can I buy Presocyl?
You can request a quote for Presocyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Presocyl?
Yes, KEHONG BIO provides custom synthesis services for Presocyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.