CGP-19984 free acid
TL;DR: CGP-19984 free acid (CAS 87958-63-2) is a chemical compound with molecular formula C13H19N4O6PS2 and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] hydrogen phosphate
Also Known As: CGP-19984 free acid, Phosphoric acid, monomethyl mono(3-methyl-2-((5-methyl-3-(2-methyl-2-propenyl)-4-oxo-2-thiazolidinylidene)hydrazono)-4-oxo-5-thiazolidinyl) ester
| Molecular Formula | C13H19N4O6PS2 |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.04837 |
| Heavy Atoms | 26 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 87958-63-2 |
|---|---|
| SMILES | CC1C(=O)N(C(=NN=C2N(C(=O)C(S2)OP(=O)(O)OC)C)S1)CC(=C)C |
| InChIKey | ODWWLZZJQZIJGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CGP-19984 free acid (CAS 87958-63-2), with molecular formula C13H19N4O6PS2 and molecular weight 422.05 g/mol. IUPAC: methyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] hydrogen phosphate.
Chemical Property Profile of CGP-19984 free acid
Property Insights of CGP-19984 free acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CGP-19984 free acid. The TPSA of 172.0 Ų indicates high polarity, suggesting CGP-19984 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CGP-19984 free acid has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CGP-19984 free acid?
The CAS number of CGP-19984 free acid is 87958-63-2.
What is the molecular formula of CGP-19984 free acid?
The molecular formula of CGP-19984 free acid is C13H19N4O6PS2.
What is the molecular weight of CGP-19984 free acid?
The molecular weight of CGP-19984 free acid is 422.05 g/mol.
Where can I buy CGP-19984 free acid?
You can request a quote for CGP-19984 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CGP-19984 free acid?
Yes, KEHONG BIO provides custom synthesis services for CGP-19984 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.