AB00682691-01
TL;DR: AB00682691-01 (CAS 514191-70-9) is a chemical compound with molecular formula C22H12ClFN2O3S2 and molecular weight 470.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AB00682691-01, (4E)-5-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]pyrrolidine-2,3-dione, 5-(3-chlorophenyl)-1-(6-fluorobenzo[d]thiazol-2-yl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 2-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(3-chlorophenyl)-1-(6-fluorobenzothiazol-2-yl)-3-hydroxy-4-(2-thienylcarbony l)-3-pyrrolin-2-one
| Molecular Formula | C22H12ClFN2O3S2 |
|---|---|
| Molecular Weight | 470.00 g/mol |
| LogP | 5.9332 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.9962 |
| Heavy Atoms | 31 |
| Complexity | 1380.6874 |
Chemical Identifiers
| CAS Number | 514191-70-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CS5 |
Product Overview
AB00682691-01 (CAS 514191-70-9), with molecular formula C22H12ClFN2O3S2 and molecular weight 470.00 g/mol. IUPAC: 2-(3-chlorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AB00682691-01
Property Insights of AB00682691-01
The XLogP value of 5.9332 indicates that AB00682691-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682691-01. Following Lipinski's Rule of Five, AB00682691-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00682691-01?
The CAS number of AB00682691-01 is 514191-70-9.
What is the molecular formula of AB00682691-01?
The molecular formula of AB00682691-01 is C22H12ClFN2O3S2.
What is the molecular weight of AB00682691-01?
The molecular weight of AB00682691-01 is 470.00 g/mol.
Where can I buy AB00682691-01?
You can request a quote for AB00682691-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682691-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682691-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.