1-Perimidin-4-ylideneethanol
TL;DR: 1-Perimidin-4-ylideneethanol (CAS 56314-42-2) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-perimidin-4-ylideneethanol
Also Known As: 1-(1H-perimidin-4-yl)ethanone, Ethanone, 1-(1H-perimidin-4-yl)-
| Molecular Formula | C13H10N2O |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.07932 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 56314-42-2 |
|---|---|
| SMILES | CC(=C1C=CC2=C3C1=NC=NC3=CC=C2)O |
| InChIKey | OCTFDSNJWCDMQA-UHFFFAOYSA-N |
Product Overview
1-Perimidin-4-ylideneethanol (CAS 56314-42-2), with molecular formula C13H10N2O and molecular weight 210.08 g/mol. IUPAC: 1-perimidin-4-ylideneethanol.
Chemical Property Profile of 1-Perimidin-4-ylideneethanol
Property Insights of 1-Perimidin-4-ylideneethanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Perimidin-4-ylideneethanol. With a topological polar surface area (TPSA) of 46.0 Ų, 1-Perimidin-4-ylideneethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Perimidin-4-ylideneethanol has 1 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 1-Perimidin-4-ylideneethanol?
The CAS number of 1-Perimidin-4-ylideneethanol is 56314-42-2.
What is the molecular formula of 1-Perimidin-4-ylideneethanol?
The molecular formula of 1-Perimidin-4-ylideneethanol is C13H10N2O.
What is the molecular weight of 1-Perimidin-4-ylideneethanol?
The molecular weight of 1-Perimidin-4-ylideneethanol is 210.08 g/mol.
Where can I buy 1-Perimidin-4-ylideneethanol?
You can request a quote for 1-Perimidin-4-ylideneethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Perimidin-4-ylideneethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Perimidin-4-ylideneethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.