Cob(III)alamin
TL;DR: Cob(III)alamin (CAS 14463-33-3) is a chemical compound with molecular formula C62H88CoN13O14P-2 and molecular weight 1328.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-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
Also Known As: Cob(II)alamin, cobalamin, Cob(III)alamin, Cobalamine, Hydroxomin
| Molecular Formula | C62H88CoN13O14P-2 |
|---|---|
| Molecular Weight | 1328.56 g/mol |
| LogP | 3.31284 |
| Topological Polar Surface Area | 464.92 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1328.5643 |
| Heavy Atoms | 91 |
| Complexity | 3544.1829 |
Chemical Identifiers
| CAS Number | 14463-33-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](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.[Co] |
Product Overview
Cob(III)alamin (CAS 14463-33-3), with molecular formula C62H88CoN13O14P-2 and molecular weight 1328.56 g/mol. IUPAC: cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-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.
Chemical Property Profile of Cob(III)alamin
Property Insights of Cob(III)alamin
The XLogP value of 3.31284 indicates that Cob(III)alamin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 464.92 Ų indicates high polarity, suggesting Cob(III)alamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cob(III)alamin 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 Cob(III)alamin?
The CAS number of Cob(III)alamin is 14463-33-3.
What is the molecular formula of Cob(III)alamin?
The molecular formula of Cob(III)alamin is C62H88CoN13O14P-2.
What is the molecular weight of Cob(III)alamin?
The molecular weight of Cob(III)alamin is 1328.56 g/mol.
Where can I buy Cob(III)alamin?
You can request a quote for Cob(III)alamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cob(III)alamin?
Yes, KEHONG BIO provides custom synthesis services for Cob(III)alamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.