羥鈷胺
TL;DR: 羥鈷胺 (CAS 13422-51-0) is a chemical compound with molecular formula C62H90CoN13O15P and molecular weight 1346.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
羥鈷胺
cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-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;hydrate
Also Known As: Hydroxomin, Cyanokit, AlphaRedisol, Hydrocobalamin, Hydrogrisevit
| Molecular Formula | C62H90CoN13O15P |
|---|---|
| Molecular Weight | 1346.57 g/mol |
| LogP | 2.48814 |
| Topological Polar Surface Area | 496.42 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1346.5748 |
| Heavy Atoms | 92 |
| Complexity | 3546.8408 |
Chemical Identifiers
| CAS Number | 13422-51-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](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.O.[Co+2] |
Product Overview
羥鈷胺 (CAS 13422-51-0), with molecular formula C62H90CoN13O15P and molecular weight 1346.57 g/mol. IUPAC: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-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;hydrate.
Chemical Property Profile of 羥鈷胺
Property Insights of 羥鈷胺
The XLogP value of 2.48814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羥鈷胺. The TPSA of 496.42 Ų indicates high polarity, suggesting 羥鈷胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 羥鈷胺 has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 羥鈷胺?
The CAS number of 羥鈷胺 is 13422-51-0.
What is the molecular formula of 羥鈷胺?
The molecular formula of 羥鈷胺 is C62H90CoN13O15P.
What is the molecular weight of 羥鈷胺?
The molecular weight of 羥鈷胺 is 1346.57 g/mol.
Where can I buy 羥鈷胺?
You can request a quote for 羥鈷胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羥鈷胺?
Yes, KEHONG BIO provides custom synthesis services for 羥鈷胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.