2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone
TL;DR: 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone (CAS 853890-95-6) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]urea
Also Known As: 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone, AS-871/43348928, F3077-1619, (E)-N-phenyl-2-(2-(prop-2-yn-1-yloxy)benzylidene)hydrazinecarboxamide, 1-phenyl-3-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]urea
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 2.8542 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 690.5503 |
Chemical Identifiers
| CAS Number | 853890-95-6 |
|---|---|
| SMILES | C#CCOC1=CC=CC=C1/C=N/NC(=O)NC2=CC=CC=C2 |
Product Overview
2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone (CAS 853890-95-6), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: 1-phenyl-3-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]urea.
Chemical Property Profile of 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone
Property Insights of 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone
The XLogP value of 2.8542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone. Following Lipinski's Rule of Five, 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone has 2 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 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone?
The CAS number of 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone is 853890-95-6.
What is the molecular formula of 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone?
The molecular formula of 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone is C17H15N3O2.
What is the molecular weight of 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone?
The molecular weight of 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone is 293.12 g/mol.
Where can I buy 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone?
You can request a quote for 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-propynyloxy)benzaldehyde N-phenylsemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.