lafutidine
TL;DR: lafutidine (CAS 118288-08-7) is a chemical compound with molecular formula C22H29N3O4S and molecular weight 431.18787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(furan-2-ylmethylsulfinyl)-N-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide
Also Known As: lafutidine, rac Lafutidine, rac trans-Lafutidine, (Z)-2-((FURAN-2-YLMETHYL)SULFINYL)-N-(4-((4-(PIPERIDIN-1-YLMETHYL)PYRIDIN-2-YL)OXY)BUT-2-EN-1-YL)ACETAMIDE, 2-(furan-2-ylmethylsulfinyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]acetamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H29N3O4S |
| Molecular Weight | 431.18787 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.18787 Da |
| Heavy Atoms | 30 |
| Complexity | 569.0 |
| SMILES | C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3 |
| InChIKey | KMZQAVXSMUKBPD-UHFFFAOYSA-N |
Chemical Property Profile of lafutidine
Property Insights of lafutidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for lafutidine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for lafutidine. Following Lipinski's Rule of Five, lafutidine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of lafutidine?
The CAS number of lafutidine is 118288-08-7.
What is the molecular formula of lafutidine?
The molecular formula of lafutidine is C22H29N3O4S.
What is the molecular weight of lafutidine?
The molecular weight of lafutidine is 431.18787 g/mol.
Where can I buy lafutidine?
You can request a quote for lafutidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for lafutidine?
Yes, CoreyChem provides custom synthesis services for lafutidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.