![1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea structure](/static/products/5889/5889-55-4.webp)
1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea
TL;DR: 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea (CAS 5889-55-4) is a chemical compound with molecular formula C16H17N7O3S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea
Also Known As: BAS 01177750, BIM-0036131.P001, 1-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea, 2-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]-N-phenylhydrazinecarbothioamide, 1-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phen
| Molecular Formula | C16H17N7O3S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | -0.5485 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.11136 |
| Heavy Atoms | 27 |
| Complexity | 1130.6068 |
Chemical Identifiers
| CAS Number | 5889-55-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NNC(=S)NC3=CC=CC=C3 |
Product Overview
1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea (CAS 5889-55-4), with molecular formula C16H17N7O3S and molecular weight 387.11 g/mol. IUPAC: 1-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea.
Chemical Property Profile of 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea
Property Insights of 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea
The XLogP value of -0.5485 indicates that 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea 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-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea?
The CAS number of 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea is 5889-55-4.
What is the molecular formula of 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea?
The molecular formula of 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea is C16H17N7O3S.
What is the molecular weight of 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea?
The molecular weight of 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea is 387.11 g/mol.
Where can I buy 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea?
You can request a quote for 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-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-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.