2-Methyl-2-aminopropanol-B 12
TL;DR: 2-Methyl-2-aminopropanol-B 12 (CAS 13408-80-5) is a chemical compound with molecular formula C64H90CoN14O14P and molecular weight 1368.58 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] [2-methyl-2-[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]propyl] phosphate;cyanide
Also Known As: 2-Methyl-2-aminopropanol-B 12, cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [2-methyl-2-[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]propyl] phosphate;cyanide, Cobyrinamide, Nf-(2-hydroxy-1,1-dimethylethyl)-, cyanide hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole, cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [2-methyl-2-[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]propyl] phosphate; cyanide
| Molecular Formula | C64H90CoN14O14P |
|---|---|
| Molecular Weight | 1368.58 g/mol |
| LogP | 3.79931 |
| Topological Polar Surface Area | 488.71 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Exact Mass | 1368.583 |
| Heavy Atoms | 94 |
| Complexity | 3650.695 |
Chemical Identifiers
| CAS Number | 13408-80-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OCC(C)(C)NC(=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
2-Methyl-2-aminopropanol-B 12 (CAS 13408-80-5), with molecular formula C64H90CoN14O14P and molecular weight 1368.58 g/mol. IUPAC: cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [2-methyl-2-[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]propyl] phosphate;cyanide.
Chemical Property Profile of 2-Methyl-2-aminopropanol-B 12
Property Insights of 2-Methyl-2-aminopropanol-B 12
The XLogP value of 3.79931 indicates that 2-Methyl-2-aminopropanol-B 12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 488.71 Ų indicates high polarity, suggesting 2-Methyl-2-aminopropanol-B 12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methyl-2-aminopropanol-B 12 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 2-Methyl-2-aminopropanol-B 12?
The CAS number of 2-Methyl-2-aminopropanol-B 12 is 13408-80-5.
What is the molecular formula of 2-Methyl-2-aminopropanol-B 12?
The molecular formula of 2-Methyl-2-aminopropanol-B 12 is C64H90CoN14O14P.
What is the molecular weight of 2-Methyl-2-aminopropanol-B 12?
The molecular weight of 2-Methyl-2-aminopropanol-B 12 is 1368.58 g/mol.
Where can I buy 2-Methyl-2-aminopropanol-B 12?
You can request a quote for 2-Methyl-2-aminopropanol-B 12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-aminopropanol-B 12?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-aminopropanol-B 12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.