BAS 01416593
TL;DR: BAS 01416593 (CAS 312596-65-9) is a chemical compound with molecular formula C27H21ClN4O4 and molecular weight 500.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: BAS 01416593, 4-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, F0477-0101, AF-399/15284067, 4-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C27H21ClN4O4 |
|---|---|
| Molecular Weight | 500.13 g/mol |
| LogP | 4.786 |
| Topological Polar Surface Area | 115.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.12512 |
| Heavy Atoms | 36 |
| Complexity | 1551.1005 |
Chemical Identifiers
| CAS Number | 312596-65-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CN=CC=C5 |
Product Overview
BAS 01416593 (CAS 312596-65-9), with molecular formula C27H21ClN4O4 and molecular weight 500.13 g/mol. IUPAC: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of BAS 01416593
Property Insights of BAS 01416593
The XLogP value of 4.786 indicates that BAS 01416593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01416593. Following Lipinski's Rule of Five, BAS 01416593 has 2 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 01416593?
The CAS number of BAS 01416593 is 312596-65-9.
What is the molecular formula of BAS 01416593?
The molecular formula of BAS 01416593 is C27H21ClN4O4.
What is the molecular weight of BAS 01416593?
The molecular weight of BAS 01416593 is 500.13 g/mol.
Where can I buy BAS 01416593?
You can request a quote for BAS 01416593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01416593?
Yes, KEHONG BIO provides custom synthesis services for BAS 01416593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.