Ibuprofen codeine
TL;DR: Ibuprofen codeine (CAS 120858-33-5) is a chemical compound with molecular formula C31H39NO5 and molecular weight 505.28284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(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-[4-(2-methylpropyl)phenyl]propanoic acid
Also Known As: ibuprofen codeine
Technical Specifications
| Molecular Formula | C31H39NO5 |
| Molecular Weight | 505.28284 g/mol |
| XLogP | 4.5743 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.28284 Da |
| Heavy Atoms | 37 |
| Complexity | 711.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=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 |
| InChIKey | GZEPIOQVQADWMO-FFHNEAJVSA-N |
Chemical Property Profile of Ibuprofen codeine
Property Insights of Ibuprofen codeine
The XLogP value of 4.5743 indicates that Ibuprofen codeine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibuprofen codeine. Following Lipinski's Rule of Five, Ibuprofen codeine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ibuprofen codeine?
The CAS number of Ibuprofen codeine is 120858-33-5.
What is the molecular formula of Ibuprofen codeine?
The molecular formula of Ibuprofen codeine is C31H39NO5.
What is the molecular weight of Ibuprofen codeine?
The molecular weight of Ibuprofen codeine is 505.28284 g/mol.
Where can I buy Ibuprofen codeine?
You can request a quote for Ibuprofen codeine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibuprofen codeine?
Yes, CoreyChem provides custom synthesis services for Ibuprofen codeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.