4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate
TL;DR: 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate (CAS 518010-85-0) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] propanoate
Also Known As: 4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl propanoate, [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] propanoate, 4-(benzo[d][1,3]dioxol-5-ylcarbamoyl)phenyl propionate, 4-[(1,3-benzodioxol-5-ylamino)carbonyl]phenyl propionate
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.983 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 739.149 |
Chemical Identifiers
| CAS Number | 518010-85-0 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate (CAS 518010-85-0), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] propanoate.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate
Property Insights of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate
The XLogP value of 2.983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate 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 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate?
The CAS number of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate is 518010-85-0.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate?
The molecular formula of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate is C17H15NO5.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate?
The molecular weight of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate is 313.10 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate?
You can request a quote for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.