N-Methyl omeprazole
TL;DR: N-Methyl omeprazole (CAS 89352-76-1) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
Also Known As: N-METHYL OMEPRAZOLE, 1-N-Methyl Omeprazole, Omeprazole Impurity 53, Omeprazole Impurity 21, Esomeprazole Impurity 35
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 89352-76-1 |
|---|---|
| SMILES | CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2C)C=C(C=C3)OC |
| InChIKey | WNUVTRNLJLQRDR-UHFFFAOYSA-N |
Product Overview
N-Methyl omeprazole (CAS 89352-76-1), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole.
Chemical Property Profile of N-Methyl omeprazole
Property Insights of N-Methyl omeprazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl omeprazole. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl omeprazole. Following Lipinski's Rule of Five, N-Methyl omeprazole has 0 hydrogen bond donor(s) and 6 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 N-Methyl omeprazole?
The CAS number of N-Methyl omeprazole is 89352-76-1.
What is the molecular formula of N-Methyl omeprazole?
The molecular formula of N-Methyl omeprazole is C18H21N3O3S.
What is the molecular weight of N-Methyl omeprazole?
The molecular weight of N-Methyl omeprazole is 359.13 g/mol.
Where can I buy N-Methyl omeprazole?
You can request a quote for N-Methyl omeprazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl omeprazole?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl omeprazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.