3-dimethylamino-m-methylpropiophenone hydrochloride
TL;DR: 3-dimethylamino-m-methylpropiophenone hydrochloride (CAS 84499-67-2) is a chemical compound with molecular formula C12H17N5O6 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid
Also Known As: 3-dimethylamino-m-methylpropiophenone hydrochloride, 4-(2-((2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy)ethoxy)-4-oxobutanoic acid, 4-(2-((2-Amino-6-oxo-5,6-dihydro-1H-purin-9(4H)-yl)methoxy)ethoxy)-4-oxobutanoic acid, 4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid, 4-{2-[(2-Amino-6-oxo-1,4,5,6-tetrahydro-9H-purin-9-yl)methoxy]ethoxy}-4-oxobutanoic acid
| Molecular Formula | C12H17N5O6 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.1179 |
| Heavy Atoms | 23 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 84499-67-2 |
|---|---|
| SMILES | C1=NC2C(N1COCCOC(=O)CCC(=O)O)N=C(NC2=O)N |
| InChIKey | GFTOQVCQFJPLTE-UHFFFAOYSA-N |
Product Overview
3-dimethylamino-m-methylpropiophenone hydrochloride (CAS 84499-67-2), with molecular formula C12H17N5O6 and molecular weight 327.12 g/mol. IUPAC: 4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid.
Chemical Property Profile of 3-dimethylamino-m-methylpropiophenone hydrochloride
Property Insights of 3-dimethylamino-m-methylpropiophenone hydrochloride
The XLogP value of -2.7 indicates that 3-dimethylamino-m-methylpropiophenone hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 3-dimethylamino-m-methylpropiophenone hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-dimethylamino-m-methylpropiophenone hydrochloride has 3 hydrogen bond donor(s) and 8 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 3-dimethylamino-m-methylpropiophenone hydrochloride?
The CAS number of 3-dimethylamino-m-methylpropiophenone hydrochloride is 84499-67-2.
What is the molecular formula of 3-dimethylamino-m-methylpropiophenone hydrochloride?
The molecular formula of 3-dimethylamino-m-methylpropiophenone hydrochloride is C12H17N5O6.
What is the molecular weight of 3-dimethylamino-m-methylpropiophenone hydrochloride?
The molecular weight of 3-dimethylamino-m-methylpropiophenone hydrochloride is 327.12 g/mol.
Where can I buy 3-dimethylamino-m-methylpropiophenone hydrochloride?
You can request a quote for 3-dimethylamino-m-methylpropiophenone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-dimethylamino-m-methylpropiophenone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-dimethylamino-m-methylpropiophenone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.