AB00118912-01
TL;DR: AB00118912-01 (CAS 431980-74-4) is a chemical compound with molecular formula C18H11Cl2N3O3S2 and molecular weight 450.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AB00118912-01, AS-871/41501651, 5-(3,4-dichlorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 2-(3,4-dichlorophenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(3,4-dichlorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C18H11Cl2N3O3S2 |
|---|---|
| Molecular Weight | 450.96 g/mol |
| LogP | 4.99772 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.96188 |
| Heavy Atoms | 28 |
| Complexity | 1125.0616 |
Chemical Identifiers
| CAS Number | 431980-74-4 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
AB00118912-01 (CAS 431980-74-4), with molecular formula C18H11Cl2N3O3S2 and molecular weight 450.96 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AB00118912-01
Property Insights of AB00118912-01
The XLogP value of 4.99772 indicates that AB00118912-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118912-01. Following Lipinski's Rule of Five, AB00118912-01 has 1 hydrogen bond donor(s) and 7 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 AB00118912-01?
The CAS number of AB00118912-01 is 431980-74-4.
What is the molecular formula of AB00118912-01?
The molecular formula of AB00118912-01 is C18H11Cl2N3O3S2.
What is the molecular weight of AB00118912-01?
The molecular weight of AB00118912-01 is 450.96 g/mol.
Where can I buy AB00118912-01?
You can request a quote for AB00118912-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118912-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118912-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.