Cyanocobalamin-b-carboxylic acid
TL;DR: Cyanocobalamin-b-carboxylic acid (CAS 38218-77-8) is a chemical compound with molecular formula C63H87CoN13O15P and molecular weight 1355.55 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-bis(3-amino-3-oxopropyl)-17-(2-carboxyethyl)-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-b-carboxylic acid, Cyanocobalamin-b-monocarboxylic acid, B1370-337354, 3'-Ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole Cobinic acid-acdeg-pentamide Cyanide Phosphate Inner Salt, 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-bis(3-amino-3-oxopropyl)-17-(2-carboxyethyl)-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
| Molecular Formula | C63H87CoN13O15P |
|---|---|
| Molecular Weight | 1355.55 g/mol |
| LogP | 4.00851 |
| Topological Polar Surface Area | 482.92 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Exact Mass | 1355.5514 |
| Heavy Atoms | 93 |
| Complexity | 3598.286 |
Chemical Identifiers
| CAS Number | 38218-77-8 |
|---|---|
| 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)O)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] |
Product Overview
Cyanocobalamin-b-carboxylic acid (CAS 38218-77-8), with molecular formula C63H87CoN13O15P and molecular weight 1355.55 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-bis(3-amino-3-oxopropyl)-17-(2-carboxyethyl)-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-b-carboxylic acid
Property Insights of Cyanocobalamin-b-carboxylic acid
The XLogP value of 4.00851 indicates that Cyanocobalamin-b-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 482.92 Ų indicates high polarity, suggesting Cyanocobalamin-b-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyanocobalamin-b-carboxylic acid 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-b-carboxylic acid?
The CAS number of Cyanocobalamin-b-carboxylic acid is 38218-77-8.
What is the molecular formula of Cyanocobalamin-b-carboxylic acid?
The molecular formula of Cyanocobalamin-b-carboxylic acid is C63H87CoN13O15P.
What is the molecular weight of Cyanocobalamin-b-carboxylic acid?
The molecular weight of Cyanocobalamin-b-carboxylic acid is 1355.55 g/mol.
Where can I buy Cyanocobalamin-b-carboxylic acid?
You can request a quote for Cyanocobalamin-b-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanocobalamin-b-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyanocobalamin-b-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.