3-Modcpl
TL;DR: 3-Modcpl (CAS 132461-44-0) is a chemical compound with molecular formula C12H18N4O4Pt and molecular weight 477.0976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexane-1,2-diamine;1-methyl-2-oxido-6-oxopyrimidine-4-carboxylate;platinum(2+)
Also Known As: 3-Modcpl, 3-Methylorotato-(1,2-diaminocyclohexane)platinum (II), (1,2-Cyclohexanediamine-N,N')(1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylato(2-)-N3,O4)platinum (SP-4-3-(trans))-, (SP-4-3-(trans))-(1,2-Cyclohexanediamine-N,N')(1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylato(2-)-N3,O4)platinum, cyclohexane-1,2-diamine; 1-methyl-2-oxido-6-oxopyrimidine-4-carboxylate; platinum(2+)
Technical Specifications
| Molecular Formula | C12H18N4O4Pt |
| Molecular Weight | 477.0976 g/mol |
| XLogP | -2.5701 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 477.0976 Da |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
| SMILES | CN1C(=O)C=C(N=C1[O-])C(=O)[O-].C1CCC(C(C1)N)N.[Pt+2] |
| InChIKey | ZJFVAGHRGDOKSU-UHFFFAOYSA-L |
Chemical Property Profile of 3-Modcpl
Property Insights of 3-Modcpl
The XLogP value of -2.5701 indicates that 3-Modcpl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting 3-Modcpl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Modcpl has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Modcpl?
The CAS number of 3-Modcpl is 132461-44-0.
What is the molecular formula of 3-Modcpl?
The molecular formula of 3-Modcpl is C12H18N4O4Pt.
What is the molecular weight of 3-Modcpl?
The molecular weight of 3-Modcpl is 477.0976 g/mol.
Where can I buy 3-Modcpl?
You can request a quote for 3-Modcpl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Modcpl?
Yes, CoreyChem provides custom synthesis services for 3-Modcpl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.