Sulfitocobalamin
TL;DR: Sulfitocobalamin (CAS 15671-27-9) is a chemical compound with molecular formula C62H89CoN13O17PS and molecular weight 1409.53 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;hydrogen sulfite
Also Known As: Sulphitocobalamin, Sulfitocobalamin, cobalaminsulfonic acid, Hydroxocobalamin sulphate, Sulfitocobalamin Sodium Salt
| Molecular Formula | C62H89CoN13O17PS |
|---|---|
| Molecular Weight | 1409.53 g/mol |
| LogP | 2.65134 |
| Topological Polar Surface Area | 525.28 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Exact Mass | 1409.5289 |
| Heavy Atoms | 95 |
| Complexity | 3663.308 |
Chemical Identifiers
| CAS Number | 15671-27-9 |
|---|---|
| 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.OS(=O)[O-].[Co+3] |
Product Overview
Sulfitocobalamin (CAS 15671-27-9), with molecular formula C62H89CoN13O17PS and molecular weight 1409.53 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;hydrogen sulfite.
Chemical Property Profile of Sulfitocobalamin
Property Insights of Sulfitocobalamin
The XLogP value of 2.65134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfitocobalamin. The TPSA of 525.28 Ų indicates high polarity, suggesting Sulfitocobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfitocobalamin has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfitocobalamin?
The CAS number of Sulfitocobalamin is 15671-27-9.
What is the molecular formula of Sulfitocobalamin?
The molecular formula of Sulfitocobalamin is C62H89CoN13O17PS.
What is the molecular weight of Sulfitocobalamin?
The molecular weight of Sulfitocobalamin is 1409.53 g/mol.
Where can I buy Sulfitocobalamin?
You can request a quote for Sulfitocobalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfitocobalamin?
Yes, KEHONG BIO provides custom synthesis services for Sulfitocobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.