Ferribalamin
TL;DR: Ferribalamin (CAS 69743-59-5) is a chemical compound with molecular formula C63H88FeN14O14P and molecular weight 1351.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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;iron(3+);cyanide
Also Known As: Ferribalamin, [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;iron(3+);cyanide, Ferribinamide, cyanide hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole, [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; iron(3+); cyanide
| Molecular Formula | C63H88FeN14O14P |
|---|---|
| Molecular Weight | 1351.57 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 | 1351.5691 |
| Heavy Atoms | 93 |
| Complexity | 3598.3892 |
Chemical Identifiers
| CAS Number | 69743-59-5 |
|---|---|
| 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.[Fe+3] |
Product Overview
Ferribalamin (CAS 69743-59-5), with molecular formula C63H88FeN14O14P and molecular weight 1351.57 g/mol. IUPAC: [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;iron(3+);cyanide.
Chemical Property Profile of Ferribalamin
Property Insights of Ferribalamin
The XLogP value of 3.40921 indicates that Ferribalamin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 488.71 Ų indicates high polarity, suggesting Ferribalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ferribalamin 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 Ferribalamin?
The CAS number of Ferribalamin is 69743-59-5.
What is the molecular formula of Ferribalamin?
The molecular formula of Ferribalamin is C63H88FeN14O14P.
What is the molecular weight of Ferribalamin?
The molecular weight of Ferribalamin is 1351.57 g/mol.
Where can I buy Ferribalamin?
You can request a quote for Ferribalamin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferribalamin?
Yes, KEHONG BIO provides custom synthesis services for Ferribalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.