Cobinamide dicyanide
TL;DR: Cobinamide dicyanide (CAS 27792-36-5) is a chemical compound with molecular formula C50H72CoN13O8-3 and molecular weight 1041.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cobalt;3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-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;dicyanide
Also Known As: Cobinamide dicyanide, Etiocobalamin, Dicyanocobinamide, Factor B, Vitamin B12p
| Molecular Formula | C50H72CoN13O8-3 |
|---|---|
| Molecular Weight | 1041.50 g/mol |
| LogP | 2.71034 |
| Topological Polar Surface Area | 406.63 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 20 |
| Exact Mass | 1041.4958 |
| Heavy Atoms | 72 |
| Complexity | 2413.7034 |
Chemical Identifiers
| CAS Number | 27792-36-5 |
|---|---|
| SMILES | C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H](C([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[C-]#N.[C-]#N.[Co] |
Product Overview
Cobinamide dicyanide (CAS 27792-36-5), with molecular formula C50H72CoN13O8-3 and molecular weight 1041.50 g/mol. IUPAC: cobalt;3-[(1R,2S,3S,5Z,7S,8S,10Z,13S,15Z,17R,18R)-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;dicyanide.
Chemical Property Profile of Cobinamide dicyanide
Property Insights of Cobinamide dicyanide
The XLogP value of 2.71034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cobinamide dicyanide. The TPSA of 406.63 Ų indicates high polarity, suggesting Cobinamide dicyanide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cobinamide dicyanide 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 Cobinamide dicyanide?
The CAS number of Cobinamide dicyanide is 27792-36-5.
What is the molecular formula of Cobinamide dicyanide?
The molecular formula of Cobinamide dicyanide is C50H72CoN13O8-3.
What is the molecular weight of Cobinamide dicyanide?
The molecular weight of Cobinamide dicyanide is 1041.50 g/mol.
Where can I buy Cobinamide dicyanide?
You can request a quote for Cobinamide dicyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cobinamide dicyanide?
Yes, KEHONG BIO provides custom synthesis services for Cobinamide dicyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.