1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium
TL;DR: 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium (CAS 54503-20-7) is a chemical compound with molecular formula C12H18NO4+ and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]azanium
Also Known As: 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium, [(1R)-1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]azanium, (1R)-1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium
| Molecular Formula | C12H18NO4+ |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 0.5499 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.12358 |
| Heavy Atoms | 17 |
| Complexity | 392.09207 |
Chemical Identifiers
| CAS Number | 54503-20-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@@H](CC(=O)OC)[NH3+])OC |
Product Overview
1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium (CAS 54503-20-7), with molecular formula C12H18NO4+ and molecular weight 240.12 g/mol. IUPAC: [(1R)-1-(3,4-dimethoxyphenyl)-3-methoxy-3-oxopropyl]azanium.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium
Property Insights of 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium
The XLogP value of 0.5499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium has 1 hydrogen bond donor(s) and 4 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-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium?
The CAS number of 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium is 54503-20-7.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium is C12H18NO4+.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium is 240.12 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-3-methoxy-3-oxopropan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.