3-Dimethylamino-1-(4-methylphenyl)-1-propanone
TL;DR: 3-Dimethylamino-1-(4-methylphenyl)-1-propanone (CAS 13552-47-1) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-1-(4-methylphenyl)propan-1-one
Also Known As: 3-(dimethylamino)-1-(4-methylphenyl)propan-1-one, 3-Dimethylamino-1-(4-methylphenyl)-1-propanone, 2-dimethylamino-4'-methyl-propiophenone, 3-(dimethylamino)-1-p-tolylpropan-1-one, beta-Dimethylamino-4 -methylpropiophenone
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 13552-47-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCN(C)C |
| InChIKey | CDRIHKYUUKWROD-UHFFFAOYSA-N |
Product Overview
3-Dimethylamino-1-(4-methylphenyl)-1-propanone (CAS 13552-47-1), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 3-(dimethylamino)-1-(4-methylphenyl)propan-1-one.
Chemical Property Profile of 3-Dimethylamino-1-(4-methylphenyl)-1-propanone
Property Insights of 3-Dimethylamino-1-(4-methylphenyl)-1-propanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dimethylamino-1-(4-methylphenyl)-1-propanone. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Dimethylamino-1-(4-methylphenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dimethylamino-1-(4-methylphenyl)-1-propanone has 0 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 3-Dimethylamino-1-(4-methylphenyl)-1-propanone?
The CAS number of 3-Dimethylamino-1-(4-methylphenyl)-1-propanone is 13552-47-1.
What is the molecular formula of 3-Dimethylamino-1-(4-methylphenyl)-1-propanone?
The molecular formula of 3-Dimethylamino-1-(4-methylphenyl)-1-propanone is C12H17NO.
What is the molecular weight of 3-Dimethylamino-1-(4-methylphenyl)-1-propanone?
The molecular weight of 3-Dimethylamino-1-(4-methylphenyl)-1-propanone is 191.13 g/mol.
Where can I buy 3-Dimethylamino-1-(4-methylphenyl)-1-propanone?
You can request a quote for 3-Dimethylamino-1-(4-methylphenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylamino-1-(4-methylphenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylamino-1-(4-methylphenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.