Ketone, methyl 9-perimidinyl, hydrochloride
TL;DR: Ketone, methyl 9-perimidinyl, hydrochloride (CAS 101831-64-5) is a chemical compound with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-perimidin-1-ium-4-yl)ethanone chloride
Also Known As: 9-Acetylperimidine hydrochloride, Perimidine, 9-acetyl-, hydrochloride, 4-acetyl-1h-perimidin-1-ium chloride, KETONE, METHYL 9-PERIMIDINYL, HYDROCHLORIDE, 1-(1H-perimidin-1-ium-4-yl)ethanone
| Molecular Formula | C13H11ClN2O |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | -1.09 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.05598 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 101831-64-5 |
|---|---|
| SMILES | CC(=O)C1=C2C3=C(C=CC=C3[NH2+]C=N2)C=C1.[Cl-] |
| InChIKey | PABQSGSJPVFQSR-UHFFFAOYSA-N |
Product Overview
Ketone, methyl 9-perimidinyl, hydrochloride (CAS 101831-64-5), with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol. IUPAC: 1-(1H-perimidin-1-ium-4-yl)ethanone chloride.
Chemical Property Profile of Ketone, methyl 9-perimidinyl, hydrochloride
Property Insights of Ketone, methyl 9-perimidinyl, hydrochloride
The XLogP value of -1.09 indicates that Ketone, methyl 9-perimidinyl, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.0 Ų, Ketone, methyl 9-perimidinyl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, methyl 9-perimidinyl, hydrochloride 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 Ketone, methyl 9-perimidinyl, hydrochloride?
The CAS number of Ketone, methyl 9-perimidinyl, hydrochloride is 101831-64-5.
What is the molecular formula of Ketone, methyl 9-perimidinyl, hydrochloride?
The molecular formula of Ketone, methyl 9-perimidinyl, hydrochloride is C13H11ClN2O.
What is the molecular weight of Ketone, methyl 9-perimidinyl, hydrochloride?
The molecular weight of Ketone, methyl 9-perimidinyl, hydrochloride is 246.06 g/mol.
Where can I buy Ketone, methyl 9-perimidinyl, hydrochloride?
You can request a quote for Ketone, methyl 9-perimidinyl, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, methyl 9-perimidinyl, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ketone, methyl 9-perimidinyl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.