Oragrafin
TL;DR: Oragrafin (CAS 5587-89-3) is a chemical compound with molecular formula C12H13I3N2O2 and molecular weight 597.8111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoic acid
Also Known As: Iopodic acid, Ipodic acid, IPODATE, Bilopten, Oragrafin
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13I3N2O2 |
| Molecular Weight | 597.8111 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 597.8111 Da |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
| Melting Point | 168-169ºC |
| Boiling Point | 579.8ºC at 760 mmHg |
| Solubility | Insoluble |
| SMILES | CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I |
| InChIKey | YQNFBOJPTAXAKV-UHFFFAOYSA-N |
Product Description
Applications: Oragrafin is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Oragrafin (CAS 5587-89-3) has the molecular formula C12H13I3N2O2 and a molecular weight of 597.81 g/mol. Reported properties include a solubility: Insoluble. Synonyms include Iopodic acid and Ipodic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Oragrafin
Property Insights of Oragrafin
The XLogP value of 3.3 indicates that Oragrafin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, Oragrafin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oragrafin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Oragrafin?
The CAS number of Oragrafin is 5587-89-3.
What is the molecular formula of Oragrafin?
The molecular formula of Oragrafin is C12H13I3N2O2.
What is the molecular weight of Oragrafin?
The molecular weight of Oragrafin is 597.8111 g/mol.
What are the applications of Oragrafin?
Oragrafin is used in pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Oragrafin?
You can request a quote for Oragrafin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oragrafin?
Yes, CoreyChem provides custom synthesis services for Oragrafin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.