2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate
TL;DR: 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate (CAS 389819-63-0) 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.
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] benzoate
Also Known As: BAS 07233412, UPCMLD0ENAT5335056:001, 2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl benzoate, Benzoic acid benzo[1,3]dioxol-5-ylcarbamoylmethyl ester, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] benzoate
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.2108 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 698.93726 |
Chemical Identifiers
| CAS Number | 389819-63-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3 |
Product Overview
2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate (CAS 389819-63-0), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] benzoate.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate
Property Insights of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate
The XLogP value of 2.2108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 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 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate?
The CAS number of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate is 389819-63-0.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate?
The molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate is C16H13NO5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate?
The molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate is 299.08 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate?
You can request a quote for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.