1-Phenylbiuret
TL;DR: 1-Phenylbiuret (CAS 13911-40-5) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-carbamoyl-3-phenylurea
Also Known As: 1-Phenylbiuret, phenylbiuret, 1-carbamoyl-3-phenylurea, N-Phenyldicarbonimidic diamide, 1-(N-Phenylaminocarbonyl)urea
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9N3O2 |
| Molecular Weight | 179.06947 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.06947 Da |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)NC(=O)N |
| InChIKey | MJJSNLJGOXWVEU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenylbiuret
Property Insights of 1-Phenylbiuret
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylbiuret. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylbiuret. Following Lipinski's Rule of Five, 1-Phenylbiuret has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Phenylbiuret?
The CAS number of 1-Phenylbiuret is 13911-40-5.
What is the molecular formula of 1-Phenylbiuret?
The molecular formula of 1-Phenylbiuret is C8H9N3O2.
What is the molecular weight of 1-Phenylbiuret?
The molecular weight of 1-Phenylbiuret is 179.06947 g/mol.
Where can I buy 1-Phenylbiuret?
You can request a quote for 1-Phenylbiuret directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenylbiuret?
Yes, CoreyChem provides custom synthesis services for 1-Phenylbiuret and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.