维生素B12
TL;DR: 维生素B12 (CAS 68-19-9) is a chemical compound with molecular formula C63H88CoN14O14P and molecular weight 1354.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
维生素B12
cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[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;cyanide
Also Known As: cyanocobalamin, vitamin B12, Hemomin, cobalamin, Biocobalamine
| Molecular Formula | C63H88CoN14O14P |
|---|---|
| Molecular Weight | 1354.57 g/mol |
| LogP | 3.40921 |
| Topological Polar Surface Area | 476.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 26 |
| Exact Mass | 1354.5674 |
| Heavy Atoms | 93 |
| Complexity | 3150.0 |
Chemical Identifiers
| CAS Number | 68-19-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(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-]#N.[Co+3] |
| InChIKey | FDJOLVPMNUYSCM-UHFFFAOYSA-L |
Product Overview
维生素B12 (CAS 68-19-9), with molecular formula C63H88CoN14O14P and molecular weight 1354.57 g/mol. IUPAC: cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[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;cyanide.
Chemical Property Profile of 维生素B12
Property Insights of 维生素B12
The XLogP value of 3.40921 indicates that 维生素B12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 476.0 Ų indicates high polarity, suggesting 维生素B12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 维生素B12 has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 维生素B12?
The CAS number of 维生素B12 is 68-19-9.
What is the molecular formula of 维生素B12?
The molecular formula of 维生素B12 is C63H88CoN14O14P.
What is the molecular weight of 维生素B12?
The molecular weight of 维生素B12 is 1354.57 g/mol.
Where can I buy 维生素B12?
You can request a quote for 维生素B12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 维生素B12?
Yes, KEHONG BIO provides custom synthesis services for 维生素B12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.