3-Chloro-1-(3,4-dimethylphenyl)propan-1-one
TL;DR: 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one (CAS 25471-37-8) is a chemical compound with molecular formula C11H13ClO and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(3,4-dimethylphenyl)propan-1-one
Also Known As: 3-chloro-1-(3,4-dimethylphenyl)propan-1-one, 3-Chloro-3',4'-dimethylpropiophenone, 1-Propanone,3-chloro-1-(3,4-dimethylphenyl)-, 3-Chloro-1-(3,4-dimethylphenyl)-1-propanone, 3-chloro-1-(3,4-dimethylphenyl)-propan-1-one
| Molecular Formula | C11H13ClO |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.06549 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 25471-37-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)CCCl)C |
| InChIKey | AAMJJOHELLBHKA-UHFFFAOYSA-N |
Product Overview
3-Chloro-1-(3,4-dimethylphenyl)propan-1-one (CAS 25471-37-8), with molecular formula C11H13ClO and molecular weight 196.07 g/mol. IUPAC: 3-chloro-1-(3,4-dimethylphenyl)propan-1-one.
Chemical Property Profile of 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one
Property Insights of 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one has 0 hydrogen bond donor(s) and 1 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-Chloro-1-(3,4-dimethylphenyl)propan-1-one?
The CAS number of 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one is 25471-37-8.
What is the molecular formula of 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one?
The molecular formula of 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one is C11H13ClO.
What is the molecular weight of 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one?
The molecular weight of 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one is 196.07 g/mol.
Where can I buy 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one?
You can request a quote for 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(3,4-dimethylphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.