Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital
TL;DR: Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital (CAS 52453-04-0) is a chemical compound with molecular formula C57H67N8O18P and molecular weight 1182.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;phosphoric acid;1,3,7-trimethylpurine-2,6-dione
Also Known As: Acecobarb, Sedalgin, Dolviran, Dolviran (old), Aspirin - codein - phenacetin - phenobarbital
| Molecular Formula | C57H67N8O18P |
|---|---|
| Molecular Weight | 1182.43 g/mol |
| LogP | 3.5974 |
| Topological Polar Surface Area | 358.71 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 1182.4312 |
| Heavy Atoms | 84 |
| Complexity | 3604.8313 |
Chemical Identifiers
| CAS Number | 52453-04-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=CC=C(C=C1)NC(=O)C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O |
Product Overview
Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital (CAS 52453-04-0), with molecular formula C57H67N8O18P and molecular weight 1182.43 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;2-acetyloxybenzoic acid;N-(4-ethoxyphenyl)acetamide;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;phosphoric acid;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital
Property Insights of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital
The XLogP value of 3.5974 indicates that Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 358.71 Ų indicates high polarity, suggesting Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital?
The CAS number of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital is 52453-04-0.
What is the molecular formula of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital?
The molecular formula of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital is C57H67N8O18P.
What is the molecular weight of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital?
The molecular weight of Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital is 1182.43 g/mol.
Where can I buy Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital?
You can request a quote for Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital?
Yes, KEHONG BIO provides custom synthesis services for Aspirin mixture with caffeine, codeine, phenacetin and phenobarbital and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.