3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one
TL;DR: 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one (CAS 357441-99-7) is a chemical compound with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one
Also Known As: 3-(4-hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one
| Molecular Formula | C15H14N2O2 |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.10553 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 357441-99-7 |
|---|---|
| SMILES | CC(=CC(=O)C1=CN=CC=C1)NC2=CC=C(C=C2)O |
| InChIKey | YJVDMNPGQGXXGJ-UHFFFAOYSA-N |
Product Overview
3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one (CAS 357441-99-7), with molecular formula C15H14N2O2 and molecular weight 254.11 g/mol. IUPAC: 3-(4-hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one.
Chemical Property Profile of 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one
Property Insights of 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one. Following Lipinski's Rule of Five, 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one has 2 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 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one?
The CAS number of 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one is 357441-99-7.
What is the molecular formula of 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one?
The molecular formula of 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one is C15H14N2O2.
What is the molecular weight of 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one?
The molecular weight of 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one is 254.11 g/mol.
Where can I buy 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one?
You can request a quote for 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxyanilino)-1-pyridin-3-ylbut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.