1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone
TL;DR: 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone (CAS 16899-95-9) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone
Also Known As: J3.179.335A, 1-(3,4-Dihydroxyphenyl)-2-(2-pyridylamino)ethanone, 1-(3,4-dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone, 1-(3,4-dihydroxyphenyl)-2-[(pyridin-2-yl)amino]ethan-1-one, 1-(3,4-DIHYDROXY-PHENYL)-2-(PYRIDIN-2-YLAMINO)-ETHANONE
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 16899-95-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)NCC(=O)C2=CC(=C(C=C2)O)O |
| InChIKey | CWCFOAURMPDYDI-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone (CAS 16899-95-9), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone.
Chemical Property Profile of 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone
Property Insights of 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone has 3 hydrogen bond donor(s) and 5 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-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone?
The CAS number of 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone is 16899-95-9.
What is the molecular formula of 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone?
The molecular formula of 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone is C13H12N2O3.
What is the molecular weight of 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone?
The molecular weight of 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone is 244.08 g/mol.
Where can I buy 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone?
You can request a quote for 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.