![Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate structure](/static/products/866/866144-47-0.png)
Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate
TL;DR: Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate (CAS 866144-47-0) is a chemical compound with molecular formula C18H17FN2O5 and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)carbamoylamino]propanoate
Also Known As: methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate, methyl 3-(2H-1,3-benzodioxol-5-yl)-3-{[(2-fluorophenyl)carbamoyl]amino}propanoate, methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)carbamoylamino]propanoate, Methyl 3-benzo[1,3]dioxol-5-yl-3-[(2-fluorophenyl)carbamoylamino]propanoate, methyl3-(2H-1,3-benzodioxol-5-yl)-3-{[(2-fluorophenyl)carbamoyl]amino}propanoate
| Molecular Formula | C18H17FN2O5 |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 2.9803 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.11215 |
| Heavy Atoms | 26 |
| Complexity | 826.9788 |
Chemical Identifiers
| CAS Number | 866144-47-0 |
|---|---|
| SMILES | COC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3F |
Product Overview
Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate (CAS 866144-47-0), with molecular formula C18H17FN2O5 and molecular weight 360.11 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)-3-[(2-fluorophenyl)carbamoylamino]propanoate.
Chemical Property Profile of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate
Property Insights of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate
The XLogP value of 2.9803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate. Following Lipinski's Rule of Five, Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate has 2 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 Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate?
The CAS number of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate is 866144-47-0.
What is the molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate?
The molecular formula of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate is C18H17FN2O5.
What is the molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate?
The molecular weight of Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate is 360.11 g/mol.
Where can I buy Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate?
You can request a quote for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(2-fluoroanilino)carbonyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.