methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate
TL;DR: methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate (CAS 695200-72-7) is a chemical compound with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(1-oxo-4-phenylphthalazin-2-yl)propanoylamino]benzoate
Also Known As: CBKinase1_004225, CBKinase1_016625, A3322/0141126, BRD-K55629785-001-01-4, methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate
| Molecular Formula | C25H21N3O4 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 3.8789 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.1532 |
| Heavy Atoms | 32 |
| Complexity | 1329.1595 |
Chemical Identifiers
| CAS Number | 695200-72-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4 |
Product Overview
methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate (CAS 695200-72-7), with molecular formula C25H21N3O4 and molecular weight 427.15 g/mol. IUPAC: methyl 4-[3-(1-oxo-4-phenylphthalazin-2-yl)propanoylamino]benzoate.
Chemical Property Profile of methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate
Property Insights of methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate
The XLogP value of 3.8789 indicates that methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate has 1 hydrogen bond donor(s) and 5 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 methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate?
The CAS number of methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate is 695200-72-7.
What is the molecular formula of methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate?
The molecular formula of methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate is C25H21N3O4.
What is the molecular weight of methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate?
The molecular weight of methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate is 427.15 g/mol.
Where can I buy methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate?
You can request a quote for methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.