![1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea structure](/static/products/899/899952-47-7.png)
1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
TL;DR: 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-47-7) is a chemical compound with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Also Known As: VU0496643-1, AB00681431-01, 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea, 3-tert-butyl-1-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]urea, F2758-0166
| Molecular Formula | C14H18N4O2 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 1.5208 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.14297 |
| Heavy Atoms | 20 |
| Complexity | 685.3688 |
Chemical Identifiers
| CAS Number | 899952-47-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NCC1=NNC(=O)C2=CC=CC=C21 |
Product Overview
1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea (CAS 899952-47-7), with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol. IUPAC: 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea.
Chemical Property Profile of 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
Property Insights of 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
The XLogP value of 1.5208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butyl-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-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea. Following Lipinski's Rule of Five, 1-tert-butyl-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-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The CAS number of 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 899952-47-7.
What is the molecular formula of 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular formula of 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is C14H18N4O2.
What is the molecular weight of 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
The molecular weight of 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea is 274.14 g/mol.
Where can I buy 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
You can request a quote for 1-tert-butyl-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-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.