AF-399/40881762
TL;DR: AF-399/40881762 (CAS 431996-38-2) is a chemical compound with molecular formula C18H10ClF3O2S and molecular weight 382.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
Also Known As: AF-399/40881762, (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one, (2E)-3-{5-[2-chloro-5-(trifluoromethyl)phenyl](2-furyl)}-1-(2-thienyl)prop-2-e n-1-one, 3-{5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl}-1-(2-thienyl)-2-propen-1-one, (2E)-3-{5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl}-1-(thiophen-2-yl)prop-2-en-1-one
| Molecular Formula | C18H10ClF3O2S |
|---|---|
| Molecular Weight | 382.00 g/mol |
| LogP | 6.5764 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.0042 |
| Heavy Atoms | 25 |
| Complexity | 924.20184 |
Chemical Identifiers
| CAS Number | 431996-38-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)/C=C/C2=CC=C(O2)C3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
AF-399/40881762 (CAS 431996-38-2), with molecular formula C18H10ClF3O2S and molecular weight 382.00 g/mol. IUPAC: (E)-3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of AF-399/40881762
Property Insights of AF-399/40881762
The XLogP value of 6.5764 indicates that AF-399/40881762 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, AF-399/40881762 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40881762 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40881762?
The CAS number of AF-399/40881762 is 431996-38-2.
What is the molecular formula of AF-399/40881762?
The molecular formula of AF-399/40881762 is C18H10ClF3O2S.
What is the molecular weight of AF-399/40881762?
The molecular weight of AF-399/40881762 is 382.00 g/mol.
Where can I buy AF-399/40881762?
You can request a quote for AF-399/40881762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40881762?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40881762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.