3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one
TL;DR: 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one (CAS 7358-86-3) is a chemical compound with molecular formula C16H10ClFO3 and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one
Also Known As: 2'-Chlor-4-dimethylamino-benzoin, 3-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one
| Molecular Formula | C16H10ClFO3 |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.03024 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 7358-86-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(C=C(C=C3)F)Cl |
| InChIKey | NUCHMMDOBDMQKS-UHFFFAOYSA-N |
Product Overview
3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one (CAS 7358-86-3), with molecular formula C16H10ClFO3 and molecular weight 304.03 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one
Property Insights of 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one
The XLogP value of 4.2 indicates that 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one has 0 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 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one is 7358-86-3.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one is C16H10ClFO3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one is 304.03 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-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-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-1-(2-chloro-4-fluorophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.