柠檬酸苯酯羟钴胺醋酸盐
TL;DR: 柠檬酸苯酯羟钴胺醋酸盐 (CAS 58288-50-9) is a chemical compound with molecular formula C62H90N13O14P and molecular weight 1271.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬酸苯酯羟钴胺醋酸盐
[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-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
Also Known As: Hydroxocobalamin Chloride, Citrofen-hydroxocobalamin acetate, [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-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
| Molecular Formula | C62H90N13O14P |
|---|---|
| Molecular Weight | 1271.65 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 460.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 26 |
| Exact Mass | 1271.6467 |
| Heavy Atoms | 90 |
| Complexity | 3150.0 |
Chemical Identifiers
| CAS Number | 58288-50-9 |
|---|---|
| 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(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O |
| InChIKey | NEZOEVMZBDYNHZ-UHFFFAOYSA-N |
Product Overview
柠檬酸苯酯羟钴胺醋酸盐 (CAS 58288-50-9), with molecular formula C62H90N13O14P and molecular weight 1271.65 g/mol. IUPAC: [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-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate.
Chemical Property Profile of 柠檬酸苯酯羟钴胺醋酸盐
Property Insights of 柠檬酸苯酯羟钴胺醋酸盐
The XLogP value of -3.9 indicates that 柠檬酸苯酯羟钴胺醋酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 460.0 Ų indicates high polarity, suggesting 柠檬酸苯酯羟钴胺醋酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 柠檬酸苯酯羟钴胺醋酸盐 has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 柠檬酸苯酯羟钴胺醋酸盐?
The CAS number of 柠檬酸苯酯羟钴胺醋酸盐 is 58288-50-9.
What is the molecular formula of 柠檬酸苯酯羟钴胺醋酸盐?
The molecular formula of 柠檬酸苯酯羟钴胺醋酸盐 is C62H90N13O14P.
What is the molecular weight of 柠檬酸苯酯羟钴胺醋酸盐?
The molecular weight of 柠檬酸苯酯羟钴胺醋酸盐 is 1271.65 g/mol.
Where can I buy 柠檬酸苯酯羟钴胺醋酸盐?
You can request a quote for 柠檬酸苯酯羟钴胺醋酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬酸苯酯羟钴胺醋酸盐?
Yes, KEHONG BIO provides custom synthesis services for 柠檬酸苯酯羟钴胺醋酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.