KF 4317
TL;DR: KF 4317 (CAS 81031-85-8) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]acetamide
Also Known As: 2-(2-aminoethylsulfinyl)aniline, 2-(2-Aminoethylsulfonyl)aniline, 4-chloro-2-ethylsulfanyl-1-nitrobenzene, Benzeneacetamide, 4-(2-hydroxy-3-((1-methyl-3-phenylpropyl)amino)propoxy)-, 2-[4-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]acetamide
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 81031-85-8 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NCC(COC2=CC=C(C=C2)CC(=O)N)O |
| InChIKey | QUGGJYHUFSNFIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KF 4317 (CAS 81031-85-8), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 2-[4-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]acetamide.
Chemical Property Profile of KF 4317
Property Insights of KF 4317
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KF 4317. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for KF 4317. Following Lipinski's Rule of Five, KF 4317 has 3 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 KF 4317?
The CAS number of KF 4317 is 81031-85-8.
What is the molecular formula of KF 4317?
The molecular formula of KF 4317 is C21H28N2O3.
What is the molecular weight of KF 4317?
The molecular weight of KF 4317 is 356.21 g/mol.
Where can I buy KF 4317?
You can request a quote for KF 4317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KF 4317?
Yes, KEHONG BIO provides custom synthesis services for KF 4317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.