Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)
TL;DR: Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1) (CAS 149833-47-6) is a chemical compound with molecular formula C18H15N3O5 and molecular weight 353.10117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-(pyridin-2-ylmethoxy)phthalazine
Also Known As: 1-(2-Pyridinylmethoxy)phthalazine (Z)-2-butenedioate (1:1), Butyl-4-n-methoxybenzyliden-4'-aminobenzoat, Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(pyridin-2-ylmethoxy)phthalazine
Technical Specifications
| Molecular Formula | C18H15N3O5 |
| Molecular Weight | 353.10117 g/mol |
| XLogP | 2.3156 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.10117 Da |
| Heavy Atoms | 26 |
| Complexity | 380.0 |
| SMILES | C1=CC=C2C(=C1)C=NN=C2OCC3=CC=CC=N3.C(=C/C(=O)O)\C(=O)O |
| InChIKey | XLPVLWOIHWEAOJ-WLHGVMLRSA-N |
Chemical Property Profile of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)
Property Insights of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)
The XLogP value of 2.3156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1). The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)?
The CAS number of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1) is 149833-47-6.
What is the molecular formula of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)?
The molecular formula of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1) is C18H15N3O5.
What is the molecular weight of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)?
The molecular weight of Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1) is 353.10117 g/mol.
Where can I buy Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)?
You can request a quote for Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Phthalazine, 1-(2-pyridinylmethoxy)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.