1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
TL;DR: 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) (CAS 59133-37-8) is a chemical compound with molecular formula C7H11ClN2O and molecular weight 174.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-5-methyl-1H-pyrrol-3-yl)azanium chloride
Also Known As: 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethanone hydrochloride, Ketone, (4-amino-2-methylpyrrol-3-yl) methyl, monohydrochloride, (4-acetyl-5-methyl-1H-pyrrol-3-yl)azanium chloride, ETHANONE, 1-(4-AMINO-2-METHYL-1H-PYRROL-3-YL)-, MONOHYDROCHLORIDE, 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C7H11ClN2O |
|---|---|
| Molecular Weight | 174.06 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.05598 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 59133-37-8 |
|---|---|
| SMILES | CC1=C(C(=CN1)[NH3+])C(=O)C.[Cl-] |
| InChIKey | JCXAJZXCEFQBAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) (CAS 59133-37-8), with molecular formula C7H11ClN2O and molecular weight 174.06 g/mol. IUPAC: (4-acetyl-5-methyl-1H-pyrrol-3-yl)azanium chloride.
Chemical Property Profile of 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
Property Insights of 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
The XLogP value of -2.6 indicates that 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 2 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-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
The CAS number of 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) is 59133-37-8.
What is the molecular formula of 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
The molecular formula of 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) is C7H11ClN2O.
What is the molecular weight of 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
The molecular weight of 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) is 174.06 g/mol.
Where can I buy 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
You can request a quote for 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Amino-2-methyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.