1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-
TL;DR: 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- (CAS 5410-91-3) is a chemical compound with molecular formula C16H13Cl3O3 and molecular weight 357.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
Also Known As: 4-19-00-00907 (Beilstein Handbook Reference), 5-(2,2,2-Trichloro-1-(4-methoxyphenyl)ethyl)-1,3-benzodioxole, 1,3-Benzodioxole, 5-(p-methoxybenzyl)-alpha-trichloromethyl-, 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-, 5-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
| Molecular Formula | C16H13Cl3O3 |
|---|---|
| Molecular Weight | 357.99 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.99304 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 5410-91-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C(Cl)(Cl)Cl |
| InChIKey | UTAWBZVOYCXCQJ-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- (CAS 5410-91-3), with molecular formula C16H13Cl3O3 and molecular weight 357.99 g/mol. IUPAC: 5-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole.
Chemical Property Profile of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-
Property Insights of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-
The XLogP value of 5.5 indicates that 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-?
The CAS number of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- is 5410-91-3.
What is the molecular formula of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-?
The molecular formula of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- is C16H13Cl3O3.
What is the molecular weight of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-?
The molecular weight of 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- is 357.99 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-?
You can request a quote for 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 5-(2,2,2-trichloro-1-(4-methoxyphenyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.