AB00116672-01
TL;DR: AB00116672-01 (CAS 431922-89-3) is a chemical compound with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Also Known As: AB00116672-01, 3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-methylbenzoyl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione, 3-hydroxy-4-[(4-methylphenyl)carbonyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C24H21N3O4S |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 4.34604 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.12527 |
| Heavy Atoms | 32 |
| Complexity | 1212.8011 |
Chemical Identifiers
| CAS Number | 431922-89-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=C(C=C4)OCC=C)/O |
Product Overview
AB00116672-01 (CAS 431922-89-3), with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AB00116672-01
Property Insights of AB00116672-01
The XLogP value of 4.34604 indicates that AB00116672-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116672-01. Following Lipinski's Rule of Five, AB00116672-01 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 AB00116672-01?
The CAS number of AB00116672-01 is 431922-89-3.
What is the molecular formula of AB00116672-01?
The molecular formula of AB00116672-01 is C24H21N3O4S.
What is the molecular weight of AB00116672-01?
The molecular weight of AB00116672-01 is 447.13 g/mol.
Where can I buy AB00116672-01?
You can request a quote for AB00116672-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116672-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116672-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.