(1-Phenylpent-4-enylideneamino)urea
TL;DR: (1-Phenylpent-4-enylideneamino)urea (CAS 100138-07-6) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenylpent-4-enylideneamino)urea
Also Known As: (1-phenylpent-4-enylideneamino)urea, 1-phenyl-pent-4-en-1-one semicarbazone, 2-(1-phenylpent-4-en-1-ylidene)hydrazinecarboxamide
| Molecular Formula | C12H15N3O |
|---|---|
| Molecular Weight | 217.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.1215 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 100138-07-6 |
|---|---|
| SMILES | C=CCCC(=NNC(=O)N)C1=CC=CC=C1 |
| InChIKey | LWWUTAUGDVQMRQ-UHFFFAOYSA-N |
Product Overview
(1-Phenylpent-4-enylideneamino)urea (CAS 100138-07-6), with molecular formula C12H15N3O and molecular weight 217.12 g/mol. IUPAC: (1-phenylpent-4-enylideneamino)urea.
Chemical Property Profile of (1-Phenylpent-4-enylideneamino)urea
Property Insights of (1-Phenylpent-4-enylideneamino)urea
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Phenylpent-4-enylideneamino)urea. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Phenylpent-4-enylideneamino)urea. Following Lipinski's Rule of Five, (1-Phenylpent-4-enylideneamino)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 (1-Phenylpent-4-enylideneamino)urea?
The CAS number of (1-Phenylpent-4-enylideneamino)urea is 100138-07-6.
What is the molecular formula of (1-Phenylpent-4-enylideneamino)urea?
The molecular formula of (1-Phenylpent-4-enylideneamino)urea is C12H15N3O.
What is the molecular weight of (1-Phenylpent-4-enylideneamino)urea?
The molecular weight of (1-Phenylpent-4-enylideneamino)urea is 217.12 g/mol.
Where can I buy (1-Phenylpent-4-enylideneamino)urea?
You can request a quote for (1-Phenylpent-4-enylideneamino)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Phenylpent-4-enylideneamino)urea?
Yes, KEHONG BIO provides custom synthesis services for (1-Phenylpent-4-enylideneamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.