(3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
TL;DR: (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate (CAS 5491-52-1) is a chemical compound with molecular formula C17H12Cl2O4 and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate, (3,4-Dichlorophenyl)methyl 3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
| Molecular Formula | C17H12Cl2O4 |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 4.4787 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.01126 |
| Heavy Atoms | 23 |
| Complexity | 771.18384 |
Chemical Identifiers
| CAS Number | 5491-52-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
(3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate (CAS 5491-52-1), with molecular formula C17H12Cl2O4 and molecular weight 350.01 g/mol. IUPAC: (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
Property Insights of (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
The XLogP value of 4.4787 indicates that (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate 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 (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate?
The CAS number of (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate is 5491-52-1.
What is the molecular formula of (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular formula of (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate is C17H12Cl2O4.
What is the molecular weight of (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular weight of (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate is 350.01 g/mol.
Where can I buy (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate?
You can request a quote for (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dichlorophenyl)methyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.