AN-988/40680253
TL;DR: AN-988/40680253 (CAS 428833-72-1) is a chemical compound with molecular formula C20H14FNO3S and molecular weight 367.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-988/40680253, (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-(4-fluorobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione, 3-(4-fluorobenzyl)-5-[4-(2-propyn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione, 3-(4-fluorobenzyl)-5-[4-(2-propynyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C20H14FNO3S |
|---|---|
| Molecular Weight | 367.07 g/mol |
| LogP | 4.0742 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.06784 |
| Heavy Atoms | 26 |
| Complexity | 898.1487 |
Chemical Identifiers
| CAS Number | 428833-72-1 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F |
Product Overview
AN-988/40680253 (CAS 428833-72-1), with molecular formula C20H14FNO3S and molecular weight 367.07 g/mol. IUPAC: (5Z)-3-[(4-fluorophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-988/40680253
Property Insights of AN-988/40680253
The XLogP value of 4.0742 indicates that AN-988/40680253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, AN-988/40680253 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-988/40680253 has 0 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 AN-988/40680253?
The CAS number of AN-988/40680253 is 428833-72-1.
What is the molecular formula of AN-988/40680253?
The molecular formula of AN-988/40680253 is C20H14FNO3S.
What is the molecular weight of AN-988/40680253?
The molecular weight of AN-988/40680253 is 367.07 g/mol.
Where can I buy AN-988/40680253?
You can request a quote for AN-988/40680253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40680253?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40680253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.