4-Demethyl pantoprazole
TL;DR: 4-Demethyl pantoprazole (CAS 141854-24-2) is a chemical compound with molecular formula C15H13F2N3O4S and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-3-methoxy-1H-pyridin-4-one
Also Known As: 4-Demethyl pantoprazole, 4-Desmethylpantoprazole, Pantoprazole Impurity 26, Pantoprazole Impurity 40, Pantoprazole Impurity 55
| Molecular Formula | C15H13F2N3O4S |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 2.169 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.05948 |
| Heavy Atoms | 25 |
| Complexity | 986.3121 |
Chemical Identifiers
| CAS Number | 141854-24-2 |
|---|---|
| SMILES | COC1=C(NC=CC1=O)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F |
Product Overview
4-Demethyl pantoprazole (CAS 141854-24-2), with molecular formula C15H13F2N3O4S and molecular weight 369.06 g/mol. IUPAC: 2-[[6-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinylmethyl]-3-methoxy-1H-pyridin-4-one.
Chemical Property Profile of 4-Demethyl pantoprazole
Property Insights of 4-Demethyl pantoprazole
The XLogP value of 2.169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Demethyl pantoprazole. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Demethyl pantoprazole. Following Lipinski's Rule of Five, 4-Demethyl pantoprazole has 2 hydrogen bond donor(s) and 5 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 4-Demethyl pantoprazole?
The CAS number of 4-Demethyl pantoprazole is 141854-24-2.
What is the molecular formula of 4-Demethyl pantoprazole?
The molecular formula of 4-Demethyl pantoprazole is C15H13F2N3O4S.
What is the molecular weight of 4-Demethyl pantoprazole?
The molecular weight of 4-Demethyl pantoprazole is 369.06 g/mol.
Where can I buy 4-Demethyl pantoprazole?
You can request a quote for 4-Demethyl pantoprazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Demethyl pantoprazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Demethyl pantoprazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.