CID 5992
TL;DR: CID 5992 (CAS 7401-53-8) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.19507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,8bS)-3,4,8b-trimethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-3,4-diium-7-yl] N-methylcarbamate;2-oxidobenzoate
Also Known As: Antilirium, Isopto Eserine, Mixture Name, Eserine salicylate, Isopto P-ES
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H27N3O5 |
| Molecular Weight | 413.19507 g/mol |
| XLogP | -1.81 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.19507 Da |
| Heavy Atoms | 30 |
| Complexity | 530.0 |
| SMILES | C[C@@]12CC[NH+]([C@@H]1[NH+](C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)[O-])[O-] |
| InChIKey | HZOTZTANVBDFOF-PBCQUBLHSA-N |
Product Description
Applications: CID 5992 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies CID 5992 (CAS 7401-53-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, CID 5992 (CAS 7401-53-8) has the molecular formula C22H27N3O5 and a molecular weight of 413.2 g/mol. It is also known as Antilirium and Isopto Eserine.
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 CID 5992
Property Insights of CID 5992
The XLogP value of -1.81 indicates that CID 5992 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 5992. Following Lipinski's Rule of Five, CID 5992 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CID 5992?
The CAS number of CID 5992 is 7401-53-8.
What is the molecular formula of CID 5992?
The molecular formula of CID 5992 is C22H27N3O5.
What is the molecular weight of CID 5992?
The molecular weight of CID 5992 is 413.19507 g/mol.
What are the applications of CID 5992?
CID 5992 is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies CID 5992 (CAS 7401-53-8) with custom synthesis...
Where can I buy CID 5992?
You can request a quote for CID 5992 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CID 5992?
Yes, CoreyChem provides custom synthesis services for CID 5992 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.