BAS 00379502
TL;DR: BAS 00379502 (CAS 331275-17-3) is a chemical compound with molecular formula C28H24ClN3O4 and molecular weight 501.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
Also Known As: BAS 00379502, 3-[1-acetyl-5-(3,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-chloro-4-phenylquinolin-2-one, (3E)-3-[1-acetyl-5-(3,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-chloro-4-phenylquinolin-2-one, 1-[3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone, 1-acetyl-5-(3,4-dimethoxyphenyl)-3-(6-chloro-2-oxo-4-phenyl(3-hydroquinolyl))- 2-pyrazoline
| Molecular Formula | C28H24ClN3O4 |
|---|---|
| Molecular Weight | 501.15 g/mol |
| LogP | 5.5633 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.14554 |
| Heavy Atoms | 36 |
| Complexity | 1562.8618 |
Chemical Identifiers
| CAS Number | 331275-17-3 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC |
Product Overview
BAS 00379502 (CAS 331275-17-3), with molecular formula C28H24ClN3O4 and molecular weight 501.15 g/mol. IUPAC: 3-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of BAS 00379502
Property Insights of BAS 00379502
The XLogP value of 5.5633 indicates that BAS 00379502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00379502. Following Lipinski's Rule of Five, BAS 00379502 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00379502?
The CAS number of BAS 00379502 is 331275-17-3.
What is the molecular formula of BAS 00379502?
The molecular formula of BAS 00379502 is C28H24ClN3O4.
What is the molecular weight of BAS 00379502?
The molecular weight of BAS 00379502 is 501.15 g/mol.
Where can I buy BAS 00379502?
You can request a quote for BAS 00379502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00379502?
Yes, KEHONG BIO provides custom synthesis services for BAS 00379502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.