Methylcobalamine chlorpalladate
TL;DR: Methylcobalamine chlorpalladate (CAS 58220-71-6) is a chemical compound with molecular formula C63H93Cl3CoN13O15PPd- and molecular weight 1572.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carbanide;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;palladium(2+);trichloride;hydrate
Also Known As: Mecbl.pdcl3, Methylcobalamin chlorpalladate, Methylcobalamine chlorpalladate, Palladate(1-), trichloro(cobinamide co-methyl deriv., hydroxide, monohydrate, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole)-, carbanide;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;palladium(2+);trichloride;hydrate
| Molecular Formula | C63H93Cl3CoN13O15PPd- |
|---|---|
| Molecular Weight | 1572.41 g/mol |
| LogP | -6.05207 |
| Topological Polar Surface Area | 496.42 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1572.4084 |
| Heavy Atoms | 97 |
| Complexity | 3574.7012 |
Chemical Identifiers
| CAS Number | 58220-71-6 |
|---|---|
| SMILES | [CH3-].CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Cl-].[Cl-].[Cl-].[Co+3].[Pd+2] |
Product Overview
Methylcobalamine chlorpalladate (CAS 58220-71-6), with molecular formula C63H93Cl3CoN13O15PPd- and molecular weight 1572.41 g/mol. IUPAC: carbanide;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;palladium(2+);trichloride;hydrate.
Chemical Property Profile of Methylcobalamine chlorpalladate
Property Insights of Methylcobalamine chlorpalladate
The XLogP value of -6.05207 indicates that Methylcobalamine chlorpalladate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 496.42 Ų indicates high polarity, suggesting Methylcobalamine chlorpalladate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylcobalamine chlorpalladate has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylcobalamine chlorpalladate?
The CAS number of Methylcobalamine chlorpalladate is 58220-71-6.
What is the molecular formula of Methylcobalamine chlorpalladate?
The molecular formula of Methylcobalamine chlorpalladate is C63H93Cl3CoN13O15PPd-.
What is the molecular weight of Methylcobalamine chlorpalladate?
The molecular weight of Methylcobalamine chlorpalladate is 1572.41 g/mol.
Where can I buy Methylcobalamine chlorpalladate?
You can request a quote for Methylcobalamine chlorpalladate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylcobalamine chlorpalladate?
Yes, KEHONG BIO provides custom synthesis services for Methylcobalamine chlorpalladate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.