cobalamin
TL;DR: cobalamin (CAS 12251-00-2) is a chemical compound with molecular formula C62H92CoN13O14P-4 and molecular weight 1332.60 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-1,2,6,7,11,12,16,17-octahydrocorrin-21,22,23,24-tetraid-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate
Also Known As: cobalamin, Co-Methylcobalamin, 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-1,2,6,7,11,12,16,17-octahydrocorrin-21,22,23,24-tetraid-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate, B12, CoB
| Molecular Formula | C62H92CoN13O14P-4 |
|---|---|
| Molecular Weight | 1332.60 g/mol |
| LogP | 4.84874 |
| Topological Polar Surface Area | 467.31 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Exact Mass | 1332.5956 |
| Heavy Atoms | 91 |
| Complexity | 3340.8098 |
Chemical Identifiers
| CAS Number | 12251-00-2 |
|---|---|
| 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([N-]6)/C(=C\7/[C@@]([C@@H](C([N-]7)/C=C\8/C([C@@H](C([N-]8)/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
cobalamin (CAS 12251-00-2), with molecular formula C62H92CoN13O14P-4 and molecular weight 1332.60 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-1,2,6,7,11,12,16,17-octahydrocorrin-21,22,23,24-tetraid-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate.
Chemical Property Profile of cobalamin
Property Insights of cobalamin
The XLogP value of 4.84874 indicates that cobalamin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 467.31 Ų indicates high polarity, suggesting cobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cobalamin has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cobalamin?
The CAS number of cobalamin is 12251-00-2.
What is the molecular formula of cobalamin?
The molecular formula of cobalamin is C62H92CoN13O14P-4.
What is the molecular weight of cobalamin?
The molecular weight of cobalamin is 1332.60 g/mol.
Where can I buy cobalamin?
You can request a quote for cobalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cobalamin?
Yes, KEHONG BIO provides custom synthesis services for cobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.