![[4-(4-Chlorophenyl)butan-2-ylideneamino]urea structure](/static/products/3506/3506-76-1.webp)
[4-(4-Chlorophenyl)butan-2-ylideneamino]urea
TL;DR: [4-(4-Chlorophenyl)butan-2-ylideneamino]urea (CAS 3506-76-1) is a chemical compound with molecular formula C11H14ClN3O and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)butan-2-ylideneamino]urea
Also Known As: 4-Chlor-benzylaceton-semicarbazon, [4-(4-chlorophenyl)butan-2-ylideneamino]urea, 2-[4-(4-chlorophenyl)butan-2-ylidene]hydrazinecarboxamide, 2-[4-(4-Chlorophenyl)butan-2-ylidene]hydrazine-1-carboximidic acid
| Molecular Formula | C11H14ClN3O |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.08253 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 3506-76-1 |
|---|---|
| SMILES | CC(=NNC(=O)N)CCC1=CC=C(C=C1)Cl |
| InChIKey | SLZBUWSNKAOEMT-UHFFFAOYSA-N |
Product Overview
[4-(4-Chlorophenyl)butan-2-ylideneamino]urea (CAS 3506-76-1), with molecular formula C11H14ClN3O and molecular weight 239.08 g/mol. IUPAC: [4-(4-chlorophenyl)butan-2-ylideneamino]urea.
Chemical Property Profile of [4-(4-Chlorophenyl)butan-2-ylideneamino]urea
Property Insights of [4-(4-Chlorophenyl)butan-2-ylideneamino]urea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(4-Chlorophenyl)butan-2-ylideneamino]urea. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(4-Chlorophenyl)butan-2-ylideneamino]urea. Following Lipinski's Rule of Five, [4-(4-Chlorophenyl)butan-2-ylideneamino]urea has 2 hydrogen bond donor(s) and 2 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 [4-(4-Chlorophenyl)butan-2-ylideneamino]urea?
The CAS number of [4-(4-Chlorophenyl)butan-2-ylideneamino]urea is 3506-76-1.
What is the molecular formula of [4-(4-Chlorophenyl)butan-2-ylideneamino]urea?
The molecular formula of [4-(4-Chlorophenyl)butan-2-ylideneamino]urea is C11H14ClN3O.
What is the molecular weight of [4-(4-Chlorophenyl)butan-2-ylideneamino]urea?
The molecular weight of [4-(4-Chlorophenyl)butan-2-ylideneamino]urea is 239.08 g/mol.
Where can I buy [4-(4-Chlorophenyl)butan-2-ylideneamino]urea?
You can request a quote for [4-(4-Chlorophenyl)butan-2-ylideneamino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Chlorophenyl)butan-2-ylideneamino]urea?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Chlorophenyl)butan-2-ylideneamino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.