1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea
TL;DR: 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea (CAS 374546-67-5) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea
Also Known As: 1-benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea, 1-benzyl-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 1.703 |
| Topological Polar Surface Area | 89.78 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 962.9713 |
Chemical Identifiers
| CAS Number | 374546-67-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC2=CC=CC3=C2C(=O)NNC3=O |
Product Overview
1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea (CAS 374546-67-5), with molecular formula C16H14N4O2S and molecular weight 326.08 g/mol. IUPAC: 1-benzyl-3-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)thiourea.
Chemical Property Profile of 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea
Property Insights of 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea
The XLogP value of 1.703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea. The TPSA of 89.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea. Following Lipinski's Rule of Five, 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea has 4 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-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea?
The CAS number of 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea is 374546-67-5.
What is the molecular formula of 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea?
The molecular formula of 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea is C16H14N4O2S.
What is the molecular weight of 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea?
The molecular weight of 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea is 326.08 g/mol.
Where can I buy 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea?
You can request a quote for 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-5-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.