雷贝拉唑
TL;DR: 雷贝拉唑 (CAS 117976-89-3) 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.
雷贝拉唑
2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
Also Known As: rabeprazole, Aciphex, dexrabeprazole, pariprazole, Habeprazole
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
| Melting Point | 99-100 °C (decomposes) |
| Vapor Pressure | 2.2X10-15 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 117976-89-3 |
|---|---|
| SMILES | CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC |
| InChIKey | YREYEVIYCVEVJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
雷贝拉唑 (CAS 117976-89-3), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.
Chemical Property Profile of 雷贝拉唑
Property Insights of 雷贝拉唑
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 雷贝拉唑. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 雷贝拉唑. Following Lipinski's Rule of Five, 雷贝拉唑 has 1 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 雷贝拉唑?
The CAS number of 雷贝拉唑 is 117976-89-3.
What is the molecular formula of 雷贝拉唑?
The molecular formula of 雷贝拉唑 is C18H21N3O3S.
What is the molecular weight of 雷贝拉唑?
The molecular weight of 雷贝拉唑 is 359.13 g/mol.
Where can I buy 雷贝拉唑?
You can request a quote for 雷贝拉唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雷贝拉唑?
Yes, KEHONG BIO provides custom synthesis services for 雷贝拉唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.