Codeine phosphate sesquihydrate
TL;DR: Codeine phosphate sesquihydrate (CAS 5913-76-8) is a chemical compound with molecular formula C36H54N2O17P2 and molecular weight 848.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((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);phosphoric acid;trihydrate
Also Known As: Codeine phosphate sesquihydrate, Codeine, phosphate, sesquihydrate, Codeine phosphate, sesquihydrate, Codeine,phosphate,sesquihydrate, Codeine phosphate,sequihydrate)
| Molecular Formula | C36H54N2O17P2 |
|---|---|
| Molecular Weight | 848.29 g/mol |
| LogP | -1.3291 |
| Topological Polar Surface Area | 333.88 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 848.2898 |
| Heavy Atoms | 57 |
| Complexity | 1800.986 |
Chemical Identifiers
| CAS Number | 5913-76-8 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.O.O.OP(=O)(O)O.OP(=O)(O)O |
Product Overview
Codeine phosphate sesquihydrate (CAS 5913-76-8), with molecular formula C36H54N2O17P2 and molecular weight 848.29 g/mol. IUPAC: bis((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);phosphoric acid;trihydrate.
Chemical Property Profile of Codeine phosphate sesquihydrate
Property Insights of Codeine phosphate sesquihydrate
The XLogP value of -1.3291 indicates that Codeine phosphate sesquihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 333.88 Ų indicates high polarity, suggesting Codeine phosphate sesquihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Codeine phosphate sesquihydrate has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Codeine phosphate sesquihydrate?
The CAS number of Codeine phosphate sesquihydrate is 5913-76-8.
What is the molecular formula of Codeine phosphate sesquihydrate?
The molecular formula of Codeine phosphate sesquihydrate is C36H54N2O17P2.
What is the molecular weight of Codeine phosphate sesquihydrate?
The molecular weight of Codeine phosphate sesquihydrate is 848.29 g/mol.
Where can I buy Codeine phosphate sesquihydrate?
You can request a quote for Codeine phosphate sesquihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Codeine phosphate sesquihydrate?
Yes, KEHONG BIO provides custom synthesis services for Codeine phosphate sesquihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.