![[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate structure](/static/products/3898/389810-97-3.webp)
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate
TL;DR: [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate (CAS 389810-97-3) is a chemical compound with molecular formula C16H12FNO5 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate
Also Known As: BAS 07376446, AP-964/40951548, [(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]METHYL 2-FLUOROBENZOATE, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate, 2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl 2-fluorobenzoate
| Molecular Formula | C16H12FNO5 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.3499 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.06995 |
| Heavy Atoms | 23 |
| Complexity | 761.88586 |
Chemical Identifiers
| CAS Number | 389810-97-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3F |
Product Overview
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate (CAS 389810-97-3), with molecular formula C16H12FNO5 and molecular weight 317.07 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate.
Chemical Property Profile of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate
Property Insights of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate
The XLogP value of 2.3499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate. Following Lipinski's Rule of Five, [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate 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-ylamino)-2-oxoethyl] 2-fluorobenzoate?
The CAS number of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate is 389810-97-3.
What is the molecular formula of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate?
The molecular formula of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate is C16H12FNO5.
What is the molecular weight of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate?
The molecular weight of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate is 317.07 g/mol.
Where can I buy [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate?
You can request a quote for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate 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-ylamino)-2-oxoethyl] 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.