Vitamin B12 factor B
TL;DR: Vitamin B12 factor B (CAS 13963-62-7) is a chemical compound with molecular formula C49H75CoN12O10 and molecular weight 1050.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide;cyanide;hydroxide;hydrate
Also Known As: Vitamin B12 factor B, Aquo-cyano-cobinamide, Cobinamide, cyanide hydroxide, monohydrate, cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide;cyanide;hydroxide;hydrate, cobalt(3+); 3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide; cyanide; hydroxide; hydrate
| Molecular Formula | C49H75CoN12O10 |
|---|---|
| Molecular Weight | 1050.51 g/mol |
| LogP | 1.61247 |
| Topological Polar Surface Area | 444.34 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 20 |
| Exact Mass | 1050.5061 |
| Heavy Atoms | 72 |
| Complexity | 2374.6753 |
Chemical Identifiers
| CAS Number | 13963-62-7 |
|---|---|
| SMILES | C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)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)CCC(=O)NCC(C)O.[C-]#N.O.[OH-].[Co+3] |
Product Overview
Vitamin B12 factor B (CAS 13963-62-7), with molecular formula C49H75CoN12O10 and molecular weight 1050.51 g/mol. IUPAC: cobalt(3+);3-[(5Z,10Z,15Z)-2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide;cyanide;hydroxide;hydrate.
Chemical Property Profile of Vitamin B12 factor B
Property Insights of Vitamin B12 factor B
The XLogP value of 1.61247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vitamin B12 factor B. The TPSA of 444.34 Ų indicates high polarity, suggesting Vitamin B12 factor B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vitamin B12 factor B has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vitamin B12 factor B?
The CAS number of Vitamin B12 factor B is 13963-62-7.
What is the molecular formula of Vitamin B12 factor B?
The molecular formula of Vitamin B12 factor B is C49H75CoN12O10.
What is the molecular weight of Vitamin B12 factor B?
The molecular weight of Vitamin B12 factor B is 1050.51 g/mol.
Where can I buy Vitamin B12 factor B?
You can request a quote for Vitamin B12 factor B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vitamin B12 factor B?
Yes, KEHONG BIO provides custom synthesis services for Vitamin B12 factor B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.