Benzeneacetonitrile, 3-chloro-4-hydroxy-
TL;DR: Benzeneacetonitrile, 3-chloro-4-hydroxy- (CAS 84424-13-5) is a chemical compound with molecular formula C16H17FN4O3 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-6-fluoro-7-[3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: Benzeneacetonitrile, 3-chloro-4-hydroxy-, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethenyl-6-fluoro-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, 6-Fluoro-7-(3-(methylamino)pyrrolidin-1-yl)-4-oxo-1-vinyl-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, 2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide,hydrochloride, 1-Ethenyl-6-fluoro-7-[3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C16H17FN4O3 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 1.1324 |
| Topological Polar Surface Area | 87.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.12848 |
| Heavy Atoms | 24 |
| Complexity | 893.002 |
Chemical Identifiers
| CAS Number | 84424-13-5 |
|---|---|
| SMILES | CNC1CCN(C1)C2=C(C=C3C(=O)C(=CN(C3=N2)C=C)C(=O)O)F |
Product Overview
Benzeneacetonitrile, 3-chloro-4-hydroxy- (CAS 84424-13-5), with molecular formula C16H17FN4O3 and molecular weight 332.13 g/mol. IUPAC: 1-ethenyl-6-fluoro-7-[3-(methylamino)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of Benzeneacetonitrile, 3-chloro-4-hydroxy-
Property Insights of Benzeneacetonitrile, 3-chloro-4-hydroxy-
The XLogP value of 1.1324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, 3-chloro-4-hydroxy-. The TPSA of 87.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetonitrile, 3-chloro-4-hydroxy-. Following Lipinski's Rule of Five, Benzeneacetonitrile, 3-chloro-4-hydroxy- has 2 hydrogen bond donor(s) and 5 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 Benzeneacetonitrile, 3-chloro-4-hydroxy-?
The CAS number of Benzeneacetonitrile, 3-chloro-4-hydroxy- is 84424-13-5.
What is the molecular formula of Benzeneacetonitrile, 3-chloro-4-hydroxy-?
The molecular formula of Benzeneacetonitrile, 3-chloro-4-hydroxy- is C16H17FN4O3.
What is the molecular weight of Benzeneacetonitrile, 3-chloro-4-hydroxy-?
The molecular weight of Benzeneacetonitrile, 3-chloro-4-hydroxy- is 332.13 g/mol.
Where can I buy Benzeneacetonitrile, 3-chloro-4-hydroxy-?
You can request a quote for Benzeneacetonitrile, 3-chloro-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 3-chloro-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 3-chloro-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.