2-Benzyl-2,3-dihydrophthalazine-1,4-dione
TL;DR: 2-Benzyl-2,3-dihydrophthalazine-1,4-dione (CAS 19807-86-4) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2H-phthalazine-1,4-dione
Also Known As: 2-benzyl-2,3-dihydrophthalazine-1,4-dione, 3-benzyl-2H-phthalazine-1,4-dione, BAS 02592861, 2-BENZYL-3H-PHTHALAZINE-1,4-DIONE, 2-Benzyl-2,3-dihydro-phthalazine-1,4-dione
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 19807-86-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=O)N2 |
| InChIKey | RKOOIIAURSVDRU-UHFFFAOYSA-N |
Product Overview
2-Benzyl-2,3-dihydrophthalazine-1,4-dione (CAS 19807-86-4), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: 3-benzyl-2H-phthalazine-1,4-dione.
Chemical Property Profile of 2-Benzyl-2,3-dihydrophthalazine-1,4-dione
Property Insights of 2-Benzyl-2,3-dihydrophthalazine-1,4-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-2,3-dihydrophthalazine-1,4-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 2-Benzyl-2,3-dihydrophthalazine-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-2,3-dihydrophthalazine-1,4-dione has 1 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 2-Benzyl-2,3-dihydrophthalazine-1,4-dione?
The CAS number of 2-Benzyl-2,3-dihydrophthalazine-1,4-dione is 19807-86-4.
What is the molecular formula of 2-Benzyl-2,3-dihydrophthalazine-1,4-dione?
The molecular formula of 2-Benzyl-2,3-dihydrophthalazine-1,4-dione is C15H12N2O2.
What is the molecular weight of 2-Benzyl-2,3-dihydrophthalazine-1,4-dione?
The molecular weight of 2-Benzyl-2,3-dihydrophthalazine-1,4-dione is 252.09 g/mol.
Where can I buy 2-Benzyl-2,3-dihydrophthalazine-1,4-dione?
You can request a quote for 2-Benzyl-2,3-dihydrophthalazine-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-2,3-dihydrophthalazine-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-2,3-dihydrophthalazine-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.