3-Modchp
TL;DR: 3-Modchp (CAS 122991-69-9) is a chemical compound with molecular formula C12H18N4O4Pd and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexane-1,2-diamine;1-methyl-2-oxido-6-oxopyrimidine-4-carboxylate;palladium(2+)
Also Known As: 3-Modchp, (3-Methylorotato)(1,2-diaminocyclohexane)palladium (II), cyclohexane-1,2-diamine;1-methyl-2-oxido-6-oxopyrimidine-4-carboxylate;palladium(2+), Palladium, (1,2-cyclohexanediamine-N,N')(1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylato(2-)-N3,O4)-, (SP-4-3-(trans))-, cyclohexane-1,2-diamine; 1-methyl-2-oxido-6-oxopyrimidine-4-carboxylate; palladium(2+)
| Molecular Formula | C12H18N4O4Pd |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | -2.5701 |
| Topological Polar Surface Area | 150.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.0363 |
| Heavy Atoms | 21 |
| Complexity | 524.479 |
Chemical Identifiers
| CAS Number | 122991-69-9 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1[O-])C(=O)[O-].C1CCC(C(C1)N)N.[Pd+2] |
Product Overview
3-Modchp (CAS 122991-69-9), with molecular formula C12H18N4O4Pd and molecular weight 388.04 g/mol. IUPAC: cyclohexane-1,2-diamine;1-methyl-2-oxido-6-oxopyrimidine-4-carboxylate;palladium(2+).
Chemical Property Profile of 3-Modchp
Property Insights of 3-Modchp
The XLogP value of -2.5701 indicates that 3-Modchp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.12 Ų indicates high polarity, suggesting 3-Modchp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Modchp 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
Frequently Asked Questions
What is the CAS number of 3-Modchp?
The CAS number of 3-Modchp is 122991-69-9.
What is the molecular formula of 3-Modchp?
The molecular formula of 3-Modchp is C12H18N4O4Pd.
What is the molecular weight of 3-Modchp?
The molecular weight of 3-Modchp is 388.04 g/mol.
Where can I buy 3-Modchp?
You can request a quote for 3-Modchp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Modchp?
Yes, KEHONG BIO provides custom synthesis services for 3-Modchp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.