![1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea structure](/static/products/899/899952-53-5.png)
1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
TL;DR: 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-53-5) is a chemical compound with molecular formula C16H12F2N4O2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Also Known As: VU0496648-1, F2758-0175, 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea, 1-(2,6-difluorophenyl)-3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)urea, 1-(2,6-difluorophenyl)-3-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]urea
| Molecular Formula | C16H12F2N4O2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 2.523 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.09283 |
| Heavy Atoms | 24 |
| Complexity | 951.4438 |
Chemical Identifiers
| CAS Number | 899952-53-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CNC(=O)NC3=C(C=CC=C3F)F |
Product Overview
1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-53-5), with molecular formula C16H12F2N4O2 and molecular weight 330.09 g/mol. IUPAC: 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea.
Chemical Property Profile of 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Property Insights of 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
The XLogP value of 2.523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea. Following Lipinski's Rule of Five, 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea has 3 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 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The CAS number of 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 899952-53-5.
What is the molecular formula of 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular formula of 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is C16H12F2N4O2.
What is the molecular weight of 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular weight of 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 330.09 g/mol.
Where can I buy 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
You can request a quote for 1-(2,6-difluorophenyl)-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-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-difluorophenyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.