AB00112619-01
TL;DR: AB00112619-01 (CAS 375829-40-6) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one
Also Known As: AB00112619-01, (5E)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one, (Z)-5-(3-nitrobenzylidene)-2-(4-(p-tolyl)piperazin-1-yl)thiazol-4(5H)-one, 2-[4-(4-methylphenyl)-1-piperazinyl]-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one, (5Z)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.69572 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1008.8412 |
Chemical Identifiers
| CAS Number | 375829-40-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/S3 |
Product Overview
AB00112619-01 (CAS 375829-40-6), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: (5Z)-2-[4-(4-methylphenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of AB00112619-01
Property Insights of AB00112619-01
The XLogP value of 3.69572 indicates that AB00112619-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112619-01. Following Lipinski's Rule of Five, AB00112619-01 has 0 hydrogen bond donor(s) and 6 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 AB00112619-01?
The CAS number of AB00112619-01 is 375829-40-6.
What is the molecular formula of AB00112619-01?
The molecular formula of AB00112619-01 is C21H20N4O3S.
What is the molecular weight of AB00112619-01?
The molecular weight of AB00112619-01 is 408.13 g/mol.
Where can I buy AB00112619-01?
You can request a quote for AB00112619-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112619-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112619-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.