BAS 00414832
TL;DR: BAS 00414832 (CAS 353463-83-9) is a chemical compound with molecular formula C15H15ClN4O3 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Also Known As: BAS 00414832, 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone, 1-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)-1,2,3,4-tetrahydroquinoline, 2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone, 2-(4-Chloro-5-methyl-3-nitro-pyrazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanone
| Molecular Formula | C15H15ClN4O3 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.08328 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 353463-83-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-])Cl |
| InChIKey | NZLABJNWEMVGKD-UHFFFAOYSA-N |
Product Overview
BAS 00414832 (CAS 353463-83-9), with molecular formula C15H15ClN4O3 and molecular weight 334.08 g/mol. IUPAC: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
Chemical Property Profile of BAS 00414832
Property Insights of BAS 00414832
The XLogP value of 3.0 indicates that BAS 00414832 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414832. Following Lipinski's Rule of Five, BAS 00414832 has 0 hydrogen bond donor(s) and 4 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 BAS 00414832?
The CAS number of BAS 00414832 is 353463-83-9.
What is the molecular formula of BAS 00414832?
The molecular formula of BAS 00414832 is C15H15ClN4O3.
What is the molecular weight of BAS 00414832?
The molecular weight of BAS 00414832 is 334.08 g/mol.
Where can I buy BAS 00414832?
You can request a quote for BAS 00414832 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414832?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414832 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.