BAS 00414895
TL;DR: BAS 00414895 (CAS 353464-09-2) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
Also Known As: BAS 00414895, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethanone, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone, 1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-ethanone, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 353464-09-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)N2CCCC3=CC=CC=C32)C)[N+](=O)[O-] |
| InChIKey | KXJDNIQAWGPXAV-UHFFFAOYSA-N |
Product Overview
BAS 00414895 (CAS 353464-09-2), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone.
Chemical Property Profile of BAS 00414895
Property Insights of BAS 00414895
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00414895. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414895. Following Lipinski's Rule of Five, BAS 00414895 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 00414895?
The CAS number of BAS 00414895 is 353464-09-2.
What is the molecular formula of BAS 00414895?
The molecular formula of BAS 00414895 is C16H18N4O3.
What is the molecular weight of BAS 00414895?
The molecular weight of BAS 00414895 is 314.14 g/mol.
Where can I buy BAS 00414895?
You can request a quote for BAS 00414895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414895?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.