![Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate structure](/static/products/521/521289-92-9.png)
Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate
TL;DR: Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate (CAS 521289-92-9) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoate
Also Known As: AB00765840-01, Methyl 4-(3-benzo[1,3]dioxol-5-ylpropanoylamino)benzoate, methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 2.7732 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 754.50446 |
Chemical Identifiers
| CAS Number | 521289-92-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC3=C(C=C2)OCO3 |
Product Overview
Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate (CAS 521289-92-9), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: methyl 4-[3-(1,3-benzodioxol-5-yl)propanoylamino]benzoate.
Chemical Property Profile of Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate
Property Insights of Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate
The XLogP value of 2.7732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate 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 Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate?
The CAS number of Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate is 521289-92-9.
What is the molecular formula of Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate?
The molecular formula of Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate is C18H17NO5.
What is the molecular weight of Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate?
The molecular weight of Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate is 327.11 g/mol.
Where can I buy Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate?
You can request a quote for Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[3-(1,3-benzodioxol-5-yl)propanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.