Adeninylethylcobalamin
TL;DR: Adeninylethylcobalamin (CAS 59209-78-8) is a chemical compound with molecular formula C69H96CoN18O14P and molecular weight 1490.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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;9-ethylpurin-6-amine
Also Known As: Adeninylethylcobalamin, AdeEtCbl, (adenylethyl)cobalamine, 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;9-ethylpurin-6-amine, Cobinamide, Co-(2-(6-amino-9H-purin-9-yl)ethyl) deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
| Molecular Formula | C69H96CoN18O14P |
|---|---|
| Molecular Weight | 1490.64 g/mol |
| LogP | 3.55543 |
| Topological Polar Surface Area | 534.54 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 27 |
| Exact Mass | 1490.6423 |
| Heavy Atoms | 103 |
| Complexity | 4279.668 |
Chemical Identifiers
| CAS Number | 59209-78-8 |
|---|---|
| SMILES | 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.[CH2-]CN1C=NC2=C(N=CN=C21)N.[Co+3] |
Product Overview
Adeninylethylcobalamin (CAS 59209-78-8), with molecular formula C69H96CoN18O14P and molecular weight 1490.64 g/mol. IUPAC: 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;9-ethylpurin-6-amine.
Chemical Property Profile of Adeninylethylcobalamin
Property Insights of Adeninylethylcobalamin
The XLogP value of 3.55543 indicates that Adeninylethylcobalamin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 534.54 Ų indicates high polarity, suggesting Adeninylethylcobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adeninylethylcobalamin has 10 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adeninylethylcobalamin?
The CAS number of Adeninylethylcobalamin is 59209-78-8.
What is the molecular formula of Adeninylethylcobalamin?
The molecular formula of Adeninylethylcobalamin is C69H96CoN18O14P.
What is the molecular weight of Adeninylethylcobalamin?
The molecular weight of Adeninylethylcobalamin is 1490.64 g/mol.
Where can I buy Adeninylethylcobalamin?
You can request a quote for Adeninylethylcobalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adeninylethylcobalamin?
Yes, KEHONG BIO provides custom synthesis services for Adeninylethylcobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.