cyanocobalamin
TL;DR: cyanocobalamin (CAS 89138-85-2) is a chemical compound with molecular formula C63H88CoN14O14P and molecular weight 1354.57 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;cyanide
Also Known As: cyanocobalamin, cobalamin, Biocobalamine, Cianocobalamina, Cyanocobalamine
| Molecular Formula | C63H88CoN14O14P |
|---|---|
| Molecular Weight | 1354.57 g/mol |
| LogP | 3.40921 |
| Topological Polar Surface Area | 488.71 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Exact Mass | 1354.5674 |
| Heavy Atoms | 93 |
| Complexity | 3598.3892 |
Chemical Identifiers
| CAS Number | 89138-85-2 |
|---|---|
| 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.[C-]#N.[Co+3] |
Product Overview
cyanocobalamin (CAS 89138-85-2), with molecular formula C63H88CoN14O14P and molecular weight 1354.57 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;cyanide.
Chemical Property Profile of cyanocobalamin
Property Insights of cyanocobalamin
The XLogP value of 3.40921 indicates that cyanocobalamin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 488.71 Ų indicates high polarity, suggesting cyanocobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyanocobalamin has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cyanocobalamin?
The CAS number of cyanocobalamin is 89138-85-2.
What is the molecular formula of cyanocobalamin?
The molecular formula of cyanocobalamin is C63H88CoN14O14P.
What is the molecular weight of cyanocobalamin?
The molecular weight of cyanocobalamin is 1354.57 g/mol.
Where can I buy cyanocobalamin?
You can request a quote for cyanocobalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyanocobalamin?
Yes, KEHONG BIO provides custom synthesis services for cyanocobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.