![Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- structure](/static/products/5542/55420-71-8.webp)
Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-
TL;DR: Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- (CAS 55420-71-8) is a chemical compound with molecular formula C10H8Cl2O and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dichlorophenyl)but-3-en-2-one
Also Known As: 2,6-Dichlorobenzylideneacetone, 4-(2,6-dichlorophenyl)but-3-en-2-one, 4-(2,6-dichloro-phenyl)-but-3-en-2-one, (3E)-4-(2,6-dichlorophenyl)but-3-en-2-one, Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-
| Molecular Formula | C10H8Cl2O |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 3.5956 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.99522 |
| Heavy Atoms | 13 |
| Complexity | 335.6924 |
Chemical Identifiers
| CAS Number | 55420-71-8 |
|---|---|
| SMILES | CC(=O)C=CC1=C(C=CC=C1Cl)Cl |
Product Overview
Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- (CAS 55420-71-8), with molecular formula C10H8Cl2O and molecular weight 214.00 g/mol. IUPAC: 4-(2,6-dichlorophenyl)but-3-en-2-one.
Chemical Property Profile of Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-
Property Insights of Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-
The XLogP value of 3.5956 indicates that Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- 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 Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-?
The CAS number of Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- is 55420-71-8.
What is the molecular formula of Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-?
The molecular formula of Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- is C10H8Cl2O.
What is the molecular weight of Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-?
The molecular weight of Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- is 214.00 g/mol.
Where can I buy Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-?
You can request a quote for Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.