A2917/0122929
TL;DR: A2917/0122929 (CAS 516455-14-4) is a chemical compound with molecular formula C22H20N4O3S and molecular weight 420.13 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-benzyl-C-methylcarbonimidoyl)-3-oxo-1H-pyrazol-5-yl]acetate
Also Known As: A2917/0122929, methyl 2-{1-(1,3-benzothiazol-2-yl)-4-[(Z)-1-(benzylamino)ethylidene]-5-oxo-1,5-dihydro-4H-pyrazol-3-yl}acetate, (E)-methyl 2-(1-(benzo[d]thiazol-2-yl)-4-(1-(benzylamino)ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate, methyl {(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}acetate, methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(benzylamino)ethylidene]-5-oxopyrazol-3-yl]acetate
| Molecular Formula | C22H20N4O3S |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.1256 |
| Heavy Atoms | 30 |
| Complexity | 1251.7113 |
Chemical Identifiers
| CAS Number | 516455-14-4 |
|---|---|
| SMILES | CC(=NCC1=CC=CC=C1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)CC(=O)OC |
Product Overview
A2917/0122929 (CAS 516455-14-4), with molecular formula C22H20N4O3S and molecular weight 420.13 g/mol. IUPAC: methyl 2-[2-(1,3-benzothiazol-2-yl)-4-(N-benzyl-C-methylcarbonimidoyl)-3-oxo-1H-pyrazol-5-yl]acetate.
Chemical Property Profile of A2917/0122929
Property Insights of A2917/0122929
The XLogP value of 3.5 indicates that A2917/0122929 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 A2917/0122929. Following Lipinski's Rule of Five, A2917/0122929 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 A2917/0122929?
The CAS number of A2917/0122929 is 516455-14-4.
What is the molecular formula of A2917/0122929?
The molecular formula of A2917/0122929 is C22H20N4O3S.
What is the molecular weight of A2917/0122929?
The molecular weight of A2917/0122929 is 420.13 g/mol.
Where can I buy A2917/0122929?
You can request a quote for A2917/0122929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2917/0122929?
Yes, KEHONG BIO provides custom synthesis services for A2917/0122929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.