AB01279349-01
TL;DR: AB01279349-01 (CAS 307541-58-8) is a chemical compound with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: AB01279349-01, 5-(4-tert-butylphenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one, 2-(4-tert-butylphenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 5-(4-TERT-BUTYLPHENYL)-3-HYDROXY-1-(1,3,4-THIADIAZOL-2-YL)-4-(2-THIENYLCARBONYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
| Molecular Formula | C21H19N3O3S2 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 4.68 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.0868 |
| Heavy Atoms | 29 |
| Complexity | 1079.4071 |
Chemical Identifiers
| CAS Number | 307541-58-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=CS3)O)C(=O)C4=CC=CS4 |
Product Overview
AB01279349-01 (CAS 307541-58-8), with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol. IUPAC: 2-(4-tert-butylphenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of AB01279349-01
Property Insights of AB01279349-01
The XLogP value of 4.68 indicates that AB01279349-01 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 AB01279349-01. Following Lipinski's Rule of Five, AB01279349-01 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 AB01279349-01?
The CAS number of AB01279349-01 is 307541-58-8.
What is the molecular formula of AB01279349-01?
The molecular formula of AB01279349-01 is C21H19N3O3S2.
What is the molecular weight of AB01279349-01?
The molecular weight of AB01279349-01 is 425.09 g/mol.
Where can I buy AB01279349-01?
You can request a quote for AB01279349-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01279349-01?
Yes, KEHONG BIO provides custom synthesis services for AB01279349-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.