Methylcobalamin Impurity 2
TL;DR: Methylcobalamin Impurity 2 (CAS 1098-68-6) is a chemical compound with molecular formula C14H19N2O7P and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Also Known As: Methylcobalamin Impurity 2, Methylcobalamin Impurity 19, DIMETHYLBENZIMIDAZOLE-NUCLEOTIDE, J1.042.870J, PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER
| Molecular Formula | C14H19N2O7P |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.093 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 1098-68-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O |
| InChIKey | JIABVZWSYKDHDJ-SYQHCUMBSA-N |
Product Overview
Methylcobalamin Impurity 2 (CAS 1098-68-6), with molecular formula C14H19N2O7P and molecular weight 358.09 g/mol. IUPAC: [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate.
Chemical Property Profile of Methylcobalamin Impurity 2
Property Insights of Methylcobalamin Impurity 2
The XLogP value of -1.1 indicates that Methylcobalamin Impurity 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylcobalamin Impurity 2. Following Lipinski's Rule of Five, Methylcobalamin Impurity 2 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylcobalamin Impurity 2?
The CAS number of Methylcobalamin Impurity 2 is 1098-68-6.
What is the molecular formula of Methylcobalamin Impurity 2?
The molecular formula of Methylcobalamin Impurity 2 is C14H19N2O7P.
What is the molecular weight of Methylcobalamin Impurity 2?
The molecular weight of Methylcobalamin Impurity 2 is 358.09 g/mol.
Where can I buy Methylcobalamin Impurity 2?
You can request a quote for Methylcobalamin Impurity 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylcobalamin Impurity 2?
Yes, KEHONG BIO provides custom synthesis services for Methylcobalamin Impurity 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.