CCR6 antagonist 1
TL;DR: CCR6 antagonist 1 (CAS 588674-64-0) is a chemical compound with molecular formula C17H12F3NO2 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
Also Known As: CCR6 antagonist 1, VUN74640?, 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide, J3.567.581G, AB01308146-01
| Molecular Formula | C17H12F3NO2 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 5.01232 |
| Topological Polar Surface Area | 42.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.082 |
| Heavy Atoms | 23 |
| Complexity | 863.671 |
Chemical Identifiers
| CAS Number | 588674-64-0 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
CCR6 antagonist 1 (CAS 588674-64-0), with molecular formula C17H12F3NO2 and molecular weight 319.08 g/mol. IUPAC: 3-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of CCR6 antagonist 1
Property Insights of CCR6 antagonist 1
The XLogP value of 5.01232 indicates that CCR6 antagonist 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.24 Ų, CCR6 antagonist 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CCR6 antagonist 1 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CCR6 antagonist 1?
The CAS number of CCR6 antagonist 1 is 588674-64-0.
What is the molecular formula of CCR6 antagonist 1?
The molecular formula of CCR6 antagonist 1 is C17H12F3NO2.
What is the molecular weight of CCR6 antagonist 1?
The molecular weight of CCR6 antagonist 1 is 319.08 g/mol.
Where can I buy CCR6 antagonist 1?
You can request a quote for CCR6 antagonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCR6 antagonist 1?
Yes, KEHONG BIO provides custom synthesis services for CCR6 antagonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.