Carboxyomeprazole
TL;DR: Carboxyomeprazole (CAS 120003-72-7) is a chemical compound with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylic acid
Also Known As: Carboxyomeprazole, Omeprazole Acid Impurity, 4-Methoxy-6-(((6-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-pyridinecarboxylic acid, 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylic acid, 1,2,4-Oxadiazole,5-(chloromethyl)-3-(methoxymethyl)
| Molecular Formula | C17H17N3O5S |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.0889 |
| Heavy Atoms | 26 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 120003-72-7 |
|---|---|
| SMILES | CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)O)OC |
| InChIKey | QRGFNZYFRUUYBG-UHFFFAOYSA-N |
Product Overview
Carboxyomeprazole (CAS 120003-72-7), with molecular formula C17H17N3O5S and molecular weight 375.09 g/mol. IUPAC: 4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridine-3-carboxylic acid.
Chemical Property Profile of Carboxyomeprazole
Property Insights of Carboxyomeprazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carboxyomeprazole. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carboxyomeprazole. Following Lipinski's Rule of Five, Carboxyomeprazole has 2 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 Carboxyomeprazole?
The CAS number of Carboxyomeprazole is 120003-72-7.
What is the molecular formula of Carboxyomeprazole?
The molecular formula of Carboxyomeprazole is C17H17N3O5S.
What is the molecular weight of Carboxyomeprazole?
The molecular weight of Carboxyomeprazole is 375.09 g/mol.
Where can I buy Carboxyomeprazole?
You can request a quote for Carboxyomeprazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxyomeprazole?
Yes, KEHONG BIO provides custom synthesis services for Carboxyomeprazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.