2-Methylsulfinyladenylcobamide
TL;DR: 2-Methylsulfinyladenylcobamide (CAS 107688-04-0) is a chemical compound with molecular formula C60H85CoN17O15PS and molecular weight 1405.5201 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(6-amino-2-methylsulfinylpurin-7-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[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]propan-2-yl phosphate;cobalt(3+);cyanide
Also Known As: Vitamin B 12 factor Y, 2-Methylsulfinyladenylcobamide, 2,3-Pentanediol,3,4-dimethyl-2-phenyl-1-(1H-1,2,4-triazol-1-yl)-,(R*,S*)-(9CI), [5-(6-amino-2-methylsulfinylpurin-7-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[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]propan-2-yl phosphate; cobalt(3+); cyanide, [5-(6-amino-2-methylsulfinylpurin-7-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[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]propan-2-yl phosphate;cobalt(3+);cyanide
Technical Specifications
| Molecular Formula | C60H85CoN17O15PS |
| Molecular Weight | 1405.5201 g/mol |
| XLogP | 0.90197 |
| Topological Polar Surface Area (TPSA) | 564.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 27 |
| Exact Mass | 1405.5201 Da |
| Heavy Atoms | 95 |
| Complexity | 3270.0 |
| 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)OP(=O)([O-])OC6C(OC(C6O)N7C=NC8=NC(=NC(=C87)N)S(=O)C)CO.[C-]#N.[Co+3] |
| InChIKey | FYUCRBFCWHKYQY-UHFFFAOYSA-L |
Product Description
Applications: 2-Methylsulfinyladenylcobamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Methylsulfinyladenylcobamide is a fine chemical identified by CAS number 107688-04-0 and the molecular formula C60H85CoN17O15PS and a molecular weight of 1405.52 g/mol. Synonyms include Vitamin B 12 factor Y and 2-Methylsulfinyladenylcobamide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Methylsulfinyladenylcobamide
Property Insights of 2-Methylsulfinyladenylcobamide
The XLogP value of 0.90197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylsulfinyladenylcobamide. The TPSA of 564.0 Ų indicates high polarity, suggesting 2-Methylsulfinyladenylcobamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methylsulfinyladenylcobamide has 10 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Methylsulfinyladenylcobamide?
The CAS number of 2-Methylsulfinyladenylcobamide is 107688-04-0.
What is the molecular formula of 2-Methylsulfinyladenylcobamide?
The molecular formula of 2-Methylsulfinyladenylcobamide is C60H85CoN17O15PS.
What is the molecular weight of 2-Methylsulfinyladenylcobamide?
The molecular weight of 2-Methylsulfinyladenylcobamide is 1405.5201 g/mol.
What are the applications of 2-Methylsulfinyladenylcobamide?
2-Methylsulfinyladenylcobamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS,...
Where can I buy 2-Methylsulfinyladenylcobamide?
You can request a quote for 2-Methylsulfinyladenylcobamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylsulfinyladenylcobamide?
Yes, CoreyChem provides custom synthesis services for 2-Methylsulfinyladenylcobamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.