Benzoic acid,4-ethoxy-3-fluoro
TL;DR: Benzoic acid,4-ethoxy-3-fluoro (CAS 57100-17-1) is a chemical compound with molecular formula C11H11N3O and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2,3-dihydroimidazo[2,1-a]phthalazin-6-one
Also Known As: Benzoic acid,4-ethoxy-3-fluoro, 5-Methyl-2,3-dihydroimidazo[2,1-a]phthalazin-6(5H)-one, 5-methyl-2,3-dihydroimidazo[2,1-a]phthalazin-6-one, 5-Methyl-2,3-dihydroimidazo[2,1-a]phthalazin-6(5H)-one #, 5-METHYL-2H,3H,5H,6H-IMIDAZO[2,1-A]PHTHALAZIN-6-ONE
| Molecular Formula | C11H11N3O |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.09021 |
| Heavy Atoms | 15 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 57100-17-1 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C3=NCCN31 |
| InChIKey | QFPQGOBJAFZWFR-UHFFFAOYSA-N |
Product Overview
Benzoic acid,4-ethoxy-3-fluoro (CAS 57100-17-1), with molecular formula C11H11N3O and molecular weight 201.09 g/mol. IUPAC: 5-methyl-2,3-dihydroimidazo[2,1-a]phthalazin-6-one.
Chemical Property Profile of Benzoic acid,4-ethoxy-3-fluoro
Property Insights of Benzoic acid,4-ethoxy-3-fluoro
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid,4-ethoxy-3-fluoro. With a topological polar surface area (TPSA) of 35.9 Ų, Benzoic acid,4-ethoxy-3-fluoro exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid,4-ethoxy-3-fluoro has 0 hydrogen bond donor(s) and 2 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 Benzoic acid,4-ethoxy-3-fluoro?
The CAS number of Benzoic acid,4-ethoxy-3-fluoro is 57100-17-1.
What is the molecular formula of Benzoic acid,4-ethoxy-3-fluoro?
The molecular formula of Benzoic acid,4-ethoxy-3-fluoro is C11H11N3O.
What is the molecular weight of Benzoic acid,4-ethoxy-3-fluoro?
The molecular weight of Benzoic acid,4-ethoxy-3-fluoro is 201.09 g/mol.
Where can I buy Benzoic acid,4-ethoxy-3-fluoro?
You can request a quote for Benzoic acid,4-ethoxy-3-fluoro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid,4-ethoxy-3-fluoro?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,4-ethoxy-3-fluoro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.