![1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea structure](/static/products/899/899952-51-3.png)
1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
TL;DR: 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-51-3) is a chemical compound with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Also Known As: VU0496646-1, AB00681432-01, 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea, F2758-0172, 1-(benzo[d][1,3]dioxol-5-yl)-3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)urea
| Molecular Formula | C17H14N4O4 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 1.9735 |
| Topological Polar Surface Area | 105.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1015 |
| Heavy Atoms | 25 |
| Complexity | 1014.9456 |
Chemical Identifiers
| CAS Number | 899952-51-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=NNC(=O)C4=CC=CC=C43 |
Product Overview
1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-51-3), with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Property Insights of 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
The XLogP value of 1.9735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea. The TPSA of 105.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea has 3 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 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The CAS number of 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 899952-51-3.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is C17H14N4O4.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 338.10 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.