A3499/0148362
TL;DR: A3499/0148362 (CAS 521327-92-4) is a chemical compound with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: A3499/0148362, methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxopyrazol-3-yl]acetate, {1-Benzothiazol-2-yl-4-[1-(4-chloro-phenylamino)-eth-(E)-ylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}-ac etic acid methyl ester, (E)-methyl 2-(1-(benzo[d]thiazol-2-yl)-4-(1-((4-chlorophenyl)amino)ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate, 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester
| Molecular Formula | C21H17ClN4O3S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 4.2849 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.07098 |
| Heavy Atoms | 30 |
| Complexity | 1285.2786 |
Chemical Identifiers
| CAS Number | 521327-92-4 |
|---|---|
| SMILES | CC(=NC1=CC=C(C=C1)Cl)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC |
Product Overview
A3499/0148362 (CAS 521327-92-4), with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol. IUPAC: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of A3499/0148362
Property Insights of A3499/0148362
The XLogP value of 4.2849 indicates that A3499/0148362 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A3499/0148362. Following Lipinski's Rule of Five, A3499/0148362 has 1 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 A3499/0148362?
The CAS number of A3499/0148362 is 521327-92-4.
What is the molecular formula of A3499/0148362?
The molecular formula of A3499/0148362 is C21H17ClN4O3S.
What is the molecular weight of A3499/0148362?
The molecular weight of A3499/0148362 is 440.07 g/mol.
Where can I buy A3499/0148362?
You can request a quote for A3499/0148362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3499/0148362?
Yes, KEHONG BIO provides custom synthesis services for A3499/0148362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.