1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea
TL;DR: 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea (CAS 76892-42-7) is a chemical compound with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dioxoisoindol-2-yl)-3-phenylthiourea
Also Known As: 1-(1,3-dioxoisoindol-2-yl)-3-phenylthiourea, N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N'-phenylthiourea, AN-689/40171968, Thiourea, N-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-N'-phenyl-
| Molecular Formula | C15H11N3O2S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.1842 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0572 |
| Heavy Atoms | 21 |
| Complexity | 695.70844 |
Chemical Identifiers
| CAS Number | 76892-42-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea (CAS 76892-42-7), with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol. IUPAC: 1-(1,3-dioxoisoindol-2-yl)-3-phenylthiourea.
Chemical Property Profile of 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea
Property Insights of 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea
The XLogP value of 2.1842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea. Following Lipinski's Rule of Five, 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea has 2 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-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea?
The CAS number of 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea is 76892-42-7.
What is the molecular formula of 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea?
The molecular formula of 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea is C15H11N3O2S.
What is the molecular weight of 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea?
The molecular weight of 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea is 297.06 g/mol.
Where can I buy 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea?
You can request a quote for 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea 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-Dioxoisoindol-2-yl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dioxoisoindol-2-yl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.