![2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate structure](/static/products/3873/387350-93-8.webp)
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate
TL;DR: 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate (CAS 387350-93-8) is a chemical compound with molecular formula C17H13Cl2NO5 and molecular weight 381.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,6-dichlorobenzoate
Also Known As: AB01302581-01, 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate, [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,6-dichlorobenzoate, 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 2,6-dichlorobenzoate
| Molecular Formula | C17H13Cl2NO5 |
|---|---|
| Molecular Weight | 381.02 g/mol |
| LogP | 3.1953 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0171 |
| Heavy Atoms | 25 |
| Complexity | 804.43066 |
Chemical Identifiers
| CAS Number | 387350-93-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C=CC=C3Cl)Cl |
Product Overview
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate (CAS 387350-93-8), with molecular formula C17H13Cl2NO5 and molecular weight 381.02 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,6-dichlorobenzoate.
Chemical Property Profile of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate
Property Insights of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate
The XLogP value of 3.1953 indicates that 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate. Following Lipinski's Rule of Five, 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate 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-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate?
The CAS number of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate is 387350-93-8.
What is the molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate?
The molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate is C17H13Cl2NO5.
What is the molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate?
The molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate is 381.02 g/mol.
Where can I buy 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate?
You can request a quote for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate 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-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl 2,6-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.