4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate
TL;DR: 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate (CAS 405900-10-9) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 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] acetate
Also Known As: BAS 07856608, 4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl acetate, [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] acetate, 4-[(2H-1,3-BENZODIOXOL-5-YL)CARBAMOYL]PHENYL ACETATE, Acetic acid 4-(benzo[1,3]dioxol-5-ylcarbamoyl)-phenyl ester
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.5929 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 723.81604 |
Chemical Identifiers
| CAS Number | 405900-10-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3 |
Product Overview
4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate (CAS 405900-10-9), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylcarbamoyl)phenyl] acetate.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate
Property Insights of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate
The XLogP value of 2.5929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate 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 acetate?
The CAS number of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate is 405900-10-9.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate?
The molecular formula of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate is C16H13NO5.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate?
The molecular weight of 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate is 299.08 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate?
You can request a quote for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylcarbamoyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.