Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester
TL;DR: Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester (CAS 149365-45-7) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-phthalazin-1-yloxybenzoate
Also Known As: Methyl 4-(1-phthalazinyloxy)benzoate, methyl 4-phthalazin-1-yloxybenzoate, Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester, Methyl 4-[(phthalazin-1-yl)oxy]benzoate, RefChem:327376
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 3.2087 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 779.6389 |
Chemical Identifiers
| CAS Number | 149365-45-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=NN=CC3=CC=CC=C32 |
Product Overview
Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester (CAS 149365-45-7), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: methyl 4-phthalazin-1-yloxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester
Property Insights of Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester
The XLogP value of 3.2087 indicates that Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester has 0 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 Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester?
The CAS number of Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester is 149365-45-7.
What is the molecular formula of Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester?
The molecular formula of Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester is C16H12N2O3.
What is the molecular weight of Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester?
The molecular weight of Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester is 280.08 g/mol.
Where can I buy Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester?
You can request a quote for Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester 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-(1-phthalazinyloxy)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(1-phthalazinyloxy)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.