AB00115031-01
TL;DR: AB00115031-01 (CAS 431075-87-5) is a chemical compound with molecular formula C22H22FN3O3S and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide
Also Known As: AB00115031-01, 2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide, 2-{(5Z)-5-[4-(diethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}-N-(2-fluorophenyl)acetamide, 2-(5-{(Z)-1-[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}-2,4-DIOXO-1,3-THIAZOLAN-3-YL)-N~1~-(2-FLUOROPHENYL)ACETAMIDE, 2-(5-{[4-(diethylamino)phenyl]methylene}-2,4-dioxo(1,3-thiazolidin-3-yl))-N-(2 -fluorophenyl)acetamide
| Molecular Formula | C22H22FN3O3S |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 4.3469 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.1366 |
| Heavy Atoms | 30 |
| Complexity | 987.3772 |
Chemical Identifiers
| CAS Number | 431075-87-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F |
Product Overview
AB00115031-01 (CAS 431075-87-5), with molecular formula C22H22FN3O3S and molecular weight 427.14 g/mol. IUPAC: 2-[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of AB00115031-01
Property Insights of AB00115031-01
The XLogP value of 4.3469 indicates that AB00115031-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115031-01. Following Lipinski's Rule of Five, AB00115031-01 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 AB00115031-01?
The CAS number of AB00115031-01 is 431075-87-5.
What is the molecular formula of AB00115031-01?
The molecular formula of AB00115031-01 is C22H22FN3O3S.
What is the molecular weight of AB00115031-01?
The molecular weight of AB00115031-01 is 427.14 g/mol.
Where can I buy AB00115031-01?
You can request a quote for AB00115031-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115031-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115031-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.