阿巴芬净
TL;DR: 阿巴芬净 (CAS 178886-71-0) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿巴芬净
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
Also Known As: Abafungin, abafungina, abafungine, Abasol, abafunginum
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 178886-71-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C |
| InChIKey | TYBHXIFFPVFXQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿巴芬净 (CAS 178886-71-0), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: 4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
Chemical Property Profile of 阿巴芬净
Property Insights of 阿巴芬净
The XLogP value of 4.3 indicates that 阿巴芬净 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿巴芬净. Following Lipinski's Rule of Five, 阿巴芬净 has 2 hydrogen bond donor(s) and 4 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 阿巴芬净?
The CAS number of 阿巴芬净 is 178886-71-0.
What is the molecular formula of 阿巴芬净?
The molecular formula of 阿巴芬净 is C21H22N4OS.
What is the molecular weight of 阿巴芬净?
The molecular weight of 阿巴芬净 is 378.15 g/mol.
Where can I buy 阿巴芬净?
You can request a quote for 阿巴芬净 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿巴芬净?
Yes, KEHONG BIO provides custom synthesis services for 阿巴芬净 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.