1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
TL;DR: 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) (CAS 59133-39-0) is a chemical compound with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)azanium chloride
Also Known As: 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone hydrochloride, Ketone, (4-amino-2-methyl-5-phenylpyrrol-3-yl) methyl, monohydrochloride, ETHANONE, 1-(4-AMINO-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)-, MONOHYDROCHLORIDE, (4-acetyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)azanium chloride, 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C13H15ClN2O |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | -0.93 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0873 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 59133-39-0 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C2=CC=CC=C2)[NH3+])C(=O)C.[Cl-] |
| InChIKey | KGEVRRIKSHIGCE-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-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) (CAS 59133-39-0), with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol. IUPAC: (4-acetyl-5-methyl-2-phenyl-1H-pyrrol-3-yl)azanium chloride.
Chemical Property Profile of 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
Property Insights of 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)
The XLogP value of -0.93 indicates that 1-(4-Amino-2-methyl-5-phenyl-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-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 1-(4-Amino-2-methyl-5-phenyl-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-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
The CAS number of 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) is 59133-39-0.
What is the molecular formula of 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
The molecular formula of 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) is C13H15ClN2O.
What is the molecular weight of 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
The molecular weight of 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1) is 250.09 g/mol.
Where can I buy 1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
You can request a quote for 1-(4-Amino-2-methyl-5-phenyl-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-5-phenyl-1H-pyrrol-3-yl)ethan-1-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Amino-2-methyl-5-phenyl-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.