3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone
TL;DR: 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone (CAS 122453-88-7) is a chemical compound with molecular formula C12H12Cl2O3 and molecular weight 274.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
Also Known As: 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone, 1-(3,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one, 1-Propanone, 1-(3,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)-
| Molecular Formula | C12H12Cl2O3 |
|---|---|
| Molecular Weight | 274.02 g/mol |
| LogP | 3.3292 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.01636 |
| Heavy Atoms | 17 |
| Complexity | 414.21182 |
Chemical Identifiers
| CAS Number | 122453-88-7 |
|---|---|
| SMILES | C1COC(O1)CCC(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone (CAS 122453-88-7), with molecular formula C12H12Cl2O3 and molecular weight 274.02 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one.
Chemical Property Profile of 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone
Property Insights of 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone
The XLogP value of 3.3292 indicates that 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone has 0 hydrogen bond donor(s) and 3 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',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone?
The CAS number of 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone is 122453-88-7.
What is the molecular formula of 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone?
The molecular formula of 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone is C12H12Cl2O3.
What is the molecular weight of 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone?
The molecular weight of 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone is 274.02 g/mol.
Where can I buy 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone?
You can request a quote for 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Dichloro-3-(1,3-dioxolan-2-yl)propiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.