N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide
TL;DR: N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide (CAS 899745-32-5) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-oxo-3H-phthalazin-1-yl)methyl]butanamide
Also Known As: N-[(4-oxo-3H-phthalazin-1-yl)methyl]butanamide, N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide, VU0496587-1, N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]butanamide, F2758-0003
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 1.3394 |
| Topological Polar Surface Area | 74.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 618.9076 |
Chemical Identifiers
| CAS Number | 899745-32-5 |
|---|---|
| SMILES | CCCC(=O)NCC1=NNC(=O)C2=CC=CC=C21 |
Product Overview
N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide (CAS 899745-32-5), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: N-[(4-oxo-3H-phthalazin-1-yl)methyl]butanamide.
Chemical Property Profile of N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide
Property Insights of N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide
The XLogP value of 1.3394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide. The TPSA of 74.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide. Following Lipinski's Rule of Five, N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide 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-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide?
The CAS number of N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide is 899745-32-5.
What is the molecular formula of N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide?
The molecular formula of N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide is C13H15N3O2.
What is the molecular weight of N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide?
The molecular weight of N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide is 245.12 g/mol.
Where can I buy N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide?
You can request a quote for N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.