IFLab1_003408
TL;DR: IFLab1_003408 (CAS 301688-15-3) is a chemical compound with molecular formula C17H13ClF3N5OS and molecular weight 427.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
Also Known As: IFLab1_003408, F0745-0486, AE-641/12361066, N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
| Molecular Formula | C17H13ClF3N5OS |
|---|---|
| Molecular Weight | 427.05 g/mol |
| LogP | 4.4554 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.04816 |
| Heavy Atoms | 28 |
| Complexity | 964.92676 |
Chemical Identifiers
| CAS Number | 301688-15-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
IFLab1_003408 (CAS 301688-15-3), with molecular formula C17H13ClF3N5OS and molecular weight 427.05 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
Chemical Property Profile of IFLab1_003408
Property Insights of IFLab1_003408
The XLogP value of 4.4554 indicates that IFLab1_003408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003408. Following Lipinski's Rule of Five, IFLab1_003408 has 1 hydrogen bond donor(s) and 5 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 IFLab1_003408?
The CAS number of IFLab1_003408 is 301688-15-3.
What is the molecular formula of IFLab1_003408?
The molecular formula of IFLab1_003408 is C17H13ClF3N5OS.
What is the molecular weight of IFLab1_003408?
The molecular weight of IFLab1_003408 is 427.05 g/mol.
Where can I buy IFLab1_003408?
You can request a quote for IFLab1_003408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003408?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.