拉呋替丁
TL;DR: 拉呋替丁 (CAS 118288-08-7) is a chemical compound with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
拉呋替丁
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
| Molecular Formula | C22H29N3O4S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.18787 |
| Heavy Atoms | 30 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 118288-08-7 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3 |
| InChIKey | KMZQAVXSMUKBPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
拉呋替丁 (CAS 118288-08-7), with molecular formula C22H29N3O4S and molecular weight 431.19 g/mol. IUPAC: 2-(furan-2-ylmethylsulfinyl)-N-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]acetamide.
Chemical Property Profile of 拉呋替丁
Property Insights of 拉呋替丁
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 拉呋替丁. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 拉呋替丁. Following Lipinski's Rule of Five, 拉呋替丁 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
Frequently Asked Questions
What is the CAS number of 拉呋替丁?
The CAS number of 拉呋替丁 is 118288-08-7.
What is the molecular formula of 拉呋替丁?
The molecular formula of 拉呋替丁 is C22H29N3O4S.
What is the molecular weight of 拉呋替丁?
The molecular weight of 拉呋替丁 is 431.19 g/mol.
Where can I buy 拉呋替丁?
You can request a quote for 拉呋替丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 拉呋替丁?
Yes, KEHONG BIO provides custom synthesis services for 拉呋替丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.