Formylmethylcobalamin
TL;DR: Formylmethylcobalamin (CAS 41871-63-0) is a chemical compound with molecular formula C64H91CoN13O15P and molecular weight 1371.58 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;ethenolate
Also Known As: Formylmethylcobalamin, 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;ethenolate, 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; ethenolate, Cobinamide, Co-(2-oxoethyl) deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole
| Molecular Formula | C64H91CoN13O15P |
|---|---|
| Molecular Weight | 1371.58 g/mol |
| LogP | 2.80304 |
| Topological Polar Surface Area | 487.98 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Exact Mass | 1371.5828 |
| Heavy Atoms | 94 |
| Complexity | 3601.599 |
Chemical Identifiers
| CAS Number | 41871-63-0 |
|---|---|
| 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=C[O-].[Co+3] |
Product Overview
Formylmethylcobalamin (CAS 41871-63-0), with molecular formula C64H91CoN13O15P and molecular weight 1371.58 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;ethenolate.
Chemical Property Profile of Formylmethylcobalamin
Property Insights of Formylmethylcobalamin
The XLogP value of 2.80304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Formylmethylcobalamin. The TPSA of 487.98 Ų indicates high polarity, suggesting Formylmethylcobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Formylmethylcobalamin 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 Formylmethylcobalamin?
The CAS number of Formylmethylcobalamin is 41871-63-0.
What is the molecular formula of Formylmethylcobalamin?
The molecular formula of Formylmethylcobalamin is C64H91CoN13O15P.
What is the molecular weight of Formylmethylcobalamin?
The molecular weight of Formylmethylcobalamin is 1371.58 g/mol.
Where can I buy Formylmethylcobalamin?
You can request a quote for Formylmethylcobalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Formylmethylcobalamin?
Yes, KEHONG BIO provides custom synthesis services for Formylmethylcobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.