N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
TL;DR: N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 99989-14-7) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-N-prop-2-enyl-3H-phthalazine-1-carboxamide
Also Known As: N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide, 4-oxo-N-prop-2-enyl-3H-phthalazine-1-carboxamide, N-allyl-4-hydroxyphthalazine-1-carboxamide, N-allyl-4-oxo-3H-phthalazine-1-carboxamide, (4-oxo(3-hydrophthalazinyl))-N-prop-2-enylcarboxamide
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 0.8389 |
| Topological Polar Surface Area | 74.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 630.9285 |
Chemical Identifiers
| CAS Number | 99989-14-7 |
|---|---|
| SMILES | C=CCNC(=O)C1=NNC(=O)C2=CC=CC=C21 |
Product Overview
N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 99989-14-7), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 4-oxo-N-prop-2-enyl-3H-phthalazine-1-carboxamide.
Chemical Property Profile of N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Property Insights of N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
The XLogP value of 0.8389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide. The TPSA of 74.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide. Following Lipinski's Rule of Five, N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide has 2 hydrogen bond donor(s) and 3 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 N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The CAS number of N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is 99989-14-7.
What is the molecular formula of N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The molecular formula of N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is C12H11N3O2.
What is the molecular weight of N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The molecular weight of N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is 229.09 g/mol.
Where can I buy N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
You can request a quote for N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.