![[(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea structure](/static/products/538/5381-91-9.png)
[(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea
TL;DR: [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea (CAS 5381-91-9) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-hydroxy-4-phenylbutan-2-ylidene)amino]urea
Also Known As: 3-hydroxy-4-phenyl-butan-2-one semicarbazone
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 5381-91-9 |
|---|---|
| SMILES | CC(=NNC(=O)N)C(CC1=CC=CC=C1)O |
| InChIKey | HBBLZOYSZJDBGP-UHFFFAOYSA-N |
Product Overview
[(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea (CAS 5381-91-9), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: [(3-hydroxy-4-phenylbutan-2-ylidene)amino]urea.
Chemical Property Profile of [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea
Property Insights of [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea. Following Lipinski's Rule of Five, [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]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 [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea?
The CAS number of [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea is 5381-91-9.
What is the molecular formula of [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea?
The molecular formula of [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea is C11H15N3O2.
What is the molecular weight of [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea?
The molecular weight of [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea is 221.12 g/mol.
Where can I buy [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea?
You can request a quote for [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea?
Yes, KEHONG BIO provides custom synthesis services for [(3-Hydroxy-4-phenylbutan-2-ylidene)amino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.