![4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate structure](/static/products/3496/349624-88-0.webp)
4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate
TL;DR: 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate (CAS 349624-88-0) 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-ylmethylcarbamoyl)phenyl] acetate
Also Known As: BAS 03033299, 4-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate, AP-906/41078664, [4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl] acetate, 4-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]phenyl acetate
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 349624-88-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3 |
| InChIKey | OKHHPHYCAPTTMS-UHFFFAOYSA-N |
Product Overview
4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate (CAS 349624-88-0), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl] acetate.
Chemical Property Profile of 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate
Property Insights of 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate. Following Lipinski's Rule of Five, 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}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-ylmethyl)amino]carbonyl}phenyl acetate?
The CAS number of 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate is 349624-88-0.
What is the molecular formula of 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate?
The molecular formula of 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate is C17H15NO5.
What is the molecular weight of 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate?
The molecular weight of 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate is 313.10 g/mol.
Where can I buy 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate?
You can request a quote for 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}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-ylmethyl)amino]carbonyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.