Cysteinylcobalamin
TL;DR: Cysteinylcobalamin (CAS 60659-91-8) is a chemical compound with molecular formula C65H94CoN14O16PS and molecular weight 1448.5763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-hydroxy-3-oxopropane-1-thiolate;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-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
Also Known As: Cysteinylcobalamin, cysteinyl-vitamin B12, 2-amino-3-hydroxy-3-oxopropane-1-thiolate;cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-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, Cobinamide, Co-(L-cysteine-S) deriv., dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole, 2-amino-3-hydroxy-3-oxopropane-1-thiolate; cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-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
Technical Specifications
| Molecular Formula | C65H94CoN14O16PS |
| Molecular Weight | 1448.5763 g/mol |
| XLogP | 2.25804 |
| Topological Polar Surface Area (TPSA) | 516.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 28 |
| Exact Mass | 1448.5763 Da |
| Heavy Atoms | 98 |
| Complexity | 3210.0 |
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=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(C(C(=O)O)N)[S-].[Co+3] |
| InChIKey | WRRSSUKQMMVXTQ-UHFFFAOYSA-K |
Product Description
Applications: Cysteinylcobalamin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cysteinylcobalamin (CAS 60659-91-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cysteinylcobalamin is a fine chemical identified by CAS number 60659-91-8 and the molecular formula C65H94CoN14O16PS and a molecular weight of 1448.58 g/mol. It is also known as Cysteinylcobalamin and cysteinyl-vitamin B12.
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 Cysteinylcobalamin
Property Insights of Cysteinylcobalamin
The XLogP value of 2.25804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cysteinylcobalamin. The TPSA of 516.0 Ų indicates high polarity, suggesting Cysteinylcobalamin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cysteinylcobalamin has 11 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cysteinylcobalamin?
The CAS number of Cysteinylcobalamin is 60659-91-8.
What is the molecular formula of Cysteinylcobalamin?
The molecular formula of Cysteinylcobalamin is C65H94CoN14O16PS.
What is the molecular weight of Cysteinylcobalamin?
The molecular weight of Cysteinylcobalamin is 1448.5763 g/mol.
What are the applications of Cysteinylcobalamin?
Cysteinylcobalamin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cysteinylcobalamin (CAS 60659-91-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS,...
Where can I buy Cysteinylcobalamin?
You can request a quote for Cysteinylcobalamin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cysteinylcobalamin?
Yes, CoreyChem provides custom synthesis services for Cysteinylcobalamin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.