1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-
TL;DR: 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- (CAS 50836-00-5) is a chemical compound with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid
Also Known As: 2-(p-Chlorophenyl)-1,3-benzodioxole-2-propionic acid, 1,3-BENZODIOXOLE-2-PROPIONIC ACID, 2-(p-CHLOROPHENYL)-, 3-(2-p-Chlorophenyl-1,3-benzodioxol-2-yl)propionic acid, 3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid, ethyl 2-(2-methylbenzo[d][1,3]dioxol-2-yl)acetate
| Molecular Formula | C16H13ClO4 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.05023 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 50836-00-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC(O2)(CCC(=O)O)C3=CC=C(C=C3)Cl |
| InChIKey | HXQZDWACJPVSJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- (CAS 50836-00-5), with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-1,3-benzodioxol-2-yl]propanoic acid.
Chemical Property Profile of 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-
Property Insights of 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-
The XLogP value of 3.6 indicates that 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- has 1 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 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-?
The CAS number of 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- is 50836-00-5.
What is the molecular formula of 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-?
The molecular formula of 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- is C16H13ClO4.
What is the molecular weight of 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-?
The molecular weight of 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- is 304.05 g/mol.
Where can I buy 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)-?
You can request a quote for 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- 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-2-propionic acid, 2-(p-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-2-propionic acid, 2-(p-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.