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4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one
TL;DR: 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one (CAS 1164552-51-5) is a chemical compound with molecular formula C18H19NO3 and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethoxyanilino)-3-phenylbut-3-en-2-one
Also Known As: 4-(3,5-dimethoxyanilino)-3-phenyl-3-buten-2-one, 4-(3,5-dimethoxyanilino)-3-phenylbut-3-en-2-one, 4-[(3,5-DIMETHOXYPHENYL)AMINO]-3-PHENYLBUT-3-EN-2-ONE
| Molecular Formula | C18H19NO3 |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 3.7458 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.1365 |
| Heavy Atoms | 22 |
| Complexity | 655.7366 |
Chemical Identifiers
| CAS Number | 1164552-51-5 |
|---|---|
| SMILES | CC(=O)C(=CNC1=CC(=CC(=C1)OC)OC)C2=CC=CC=C2 |
Product Overview
4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one (CAS 1164552-51-5), with molecular formula C18H19NO3 and molecular weight 297.14 g/mol. IUPAC: 4-(3,5-dimethoxyanilino)-3-phenylbut-3-en-2-one.
Chemical Property Profile of 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one
Property Insights of 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one
The XLogP value of 3.7458 indicates that 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one has 1 hydrogen bond donor(s) and 4 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-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one?
The CAS number of 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one is 1164552-51-5.
What is the molecular formula of 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one?
The molecular formula of 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one is C18H19NO3.
What is the molecular weight of 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one?
The molecular weight of 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one is 297.14 g/mol.
Where can I buy 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one?
You can request a quote for 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,5-Dimethoxyphenyl)amino]-3-phenylbut-3-EN-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.