Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
TL;DR: Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS 24902-02-1) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
Also Known As: Amlure, Propyl 1,4-benzodioxan-2-carboxylate, 1,4-BENZODIOXAN-2-CARBOXYLIC ACID, PROPYL ESTER, propyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate, 1,4-benzodioxan-2-carboxylic acid propyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 24902-02-1 |
|---|---|
| SMILES | CCCOC(=O)C1COC2=CC=CC=C2O1 |
| InChIKey | GIWVWMBTCWHKMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate (CAS 24902-02-1), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: propyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate.
Chemical Property Profile of Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Property Insights of Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate. With a topological polar surface area (TPSA) of 44.8 Ų, Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate 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 Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
The CAS number of Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate is 24902-02-1.
What is the molecular formula of Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
The molecular formula of Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate is C12H14O4.
What is the molecular weight of Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
The molecular weight of Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate is 222.09 g/mol.
Where can I buy Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
You can request a quote for Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.