4-oxo-N-propyl-3H-phthalazine-1-carboxamide
TL;DR: 4-oxo-N-propyl-3H-phthalazine-1-carboxamide (CAS 746604-99-9) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-N-propyl-3H-phthalazine-1-carboxamide
Also Known As: 4-oxo-N-propyl-3H-phthalazine-1-carboxamide, 1-Phthalazinecarboxamide, 3,4-dihydro-4-oxo-N-propyl-
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.0629 |
| Topological Polar Surface Area | 74.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 603.9674 |
Chemical Identifiers
| CAS Number | 746604-99-9 |
|---|---|
| SMILES | CCCNC(=O)C1=NNC(=O)C2=CC=CC=C21 |
Product Overview
4-oxo-N-propyl-3H-phthalazine-1-carboxamide (CAS 746604-99-9), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 4-oxo-N-propyl-3H-phthalazine-1-carboxamide.
Chemical Property Profile of 4-oxo-N-propyl-3H-phthalazine-1-carboxamide
Property Insights of 4-oxo-N-propyl-3H-phthalazine-1-carboxamide
The XLogP value of 1.0629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-N-propyl-3H-phthalazine-1-carboxamide. The TPSA of 74.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-N-propyl-3H-phthalazine-1-carboxamide. Following Lipinski's Rule of Five, 4-oxo-N-propyl-3H-phthalazine-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 4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
The CAS number of 4-oxo-N-propyl-3H-phthalazine-1-carboxamide is 746604-99-9.
What is the molecular formula of 4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
The molecular formula of 4-oxo-N-propyl-3H-phthalazine-1-carboxamide is C12H13N3O2.
What is the molecular weight of 4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
The molecular weight of 4-oxo-N-propyl-3H-phthalazine-1-carboxamide is 231.10 g/mol.
Where can I buy 4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
You can request a quote for 4-oxo-N-propyl-3H-phthalazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-N-propyl-3H-phthalazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.