1,3-Benzodioxol-5-yl 4-methylbenzoate
TL;DR: 1,3-Benzodioxol-5-yl 4-methylbenzoate (CAS 556779-40-9) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl 4-methylbenzoate
Also Known As: 1,3-benzodioxol-5-yl 4-methylbenzoate, AO-548/43196724
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.94292 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 616.5427 |
Chemical Identifiers
| CAS Number | 556779-40-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3 |
Product Overview
1,3-Benzodioxol-5-yl 4-methylbenzoate (CAS 556779-40-9), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: 1,3-benzodioxol-5-yl 4-methylbenzoate.
Chemical Property Profile of 1,3-Benzodioxol-5-yl 4-methylbenzoate
Property Insights of 1,3-Benzodioxol-5-yl 4-methylbenzoate
The XLogP value of 2.94292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-5-yl 4-methylbenzoate. With a topological polar surface area (TPSA) of 44.76 Ų, 1,3-Benzodioxol-5-yl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl 4-methylbenzoate 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 1,3-Benzodioxol-5-yl 4-methylbenzoate?
The CAS number of 1,3-Benzodioxol-5-yl 4-methylbenzoate is 556779-40-9.
What is the molecular formula of 1,3-Benzodioxol-5-yl 4-methylbenzoate?
The molecular formula of 1,3-Benzodioxol-5-yl 4-methylbenzoate is C15H12O4.
What is the molecular weight of 1,3-Benzodioxol-5-yl 4-methylbenzoate?
The molecular weight of 1,3-Benzodioxol-5-yl 4-methylbenzoate is 256.07 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl 4-methylbenzoate?
You can request a quote for 1,3-Benzodioxol-5-yl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.