![[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate structure](/static/products/7498/749891-86-9.webp)
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
TL;DR: [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (CAS 749891-86-9) is a chemical compound with molecular formula C16H13ClN2O7S and molecular weight 412.01 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] 4-chloro-3-sulfamoylbenzoate
Also Known As: AB00724518-01, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate, 2-[(2H-1,3-Benzodioxol-5-yl)amino]-2-oxoethyl 4-chloro-3-sulfamoylbenzoate
| Molecular Formula | C16H13ClN2O7S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 1.5116 |
| Topological Polar Surface Area | 134.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0132 |
| Heavy Atoms | 27 |
| Complexity | 1023.424 |
Chemical Identifiers
| CAS Number | 749891-86-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N |
Product Overview
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (CAS 749891-86-9), with molecular formula C16H13ClN2O7S and molecular weight 412.01 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.
Chemical Property Profile of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
Property Insights of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
The XLogP value of 1.5116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate. The TPSA of 134.02 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate. Following Lipinski's Rule of Five, [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate has 2 hydrogen bond donor(s) and 7 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] 4-chloro-3-sulfamoylbenzoate?
The CAS number of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is 749891-86-9.
What is the molecular formula of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The molecular formula of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is C16H13ClN2O7S.
What is the molecular weight of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The molecular weight of [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is 412.01 g/mol.
Where can I buy [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
You can request a quote for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate 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] 4-chloro-3-sulfamoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.