![[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate structure](/static/products/3915/391598-72-4.webp)
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate
TL;DR: [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate (CAS 391598-72-4) is a chemical compound with molecular formula C17H13F2NO5 and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate
Also Known As: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate|2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,4-difluorobenzoate|2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 2,4-difluorobenzoate|MLS002246189|SMR001309810
| Molecular Formula | C17H13F2NO5 |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 2.1667 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.07617 |
| Heavy Atoms | 25 |
| Complexity | 824.68066 |
Chemical Identifiers
| CAS Number | 391598-72-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C=C(C=C3)F)F |
Product Overview
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate (CAS 391598-72-4), with molecular formula C17H13F2NO5 and molecular weight 349.08 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate.
Chemical Property Profile of [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate
Property Insights of [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate
The XLogP value of 2.1667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate. Following Lipinski's Rule of Five, [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate has 1 hydrogen bond donor(s) and 5 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 [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The CAS number of [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate is 391598-72-4.
What is the molecular formula of [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The molecular formula of [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate is C17H13F2NO5.
What is the molecular weight of [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The molecular weight of [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate is 349.08 g/mol.
Where can I buy [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate?
You can request a quote for [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,4-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.