6-Amino-1,3-benzodioxole-5-carboxylate
TL;DR: 6-Amino-1,3-benzodioxole-5-carboxylate (CAS 20332-16-5) is a chemical compound with molecular formula C8H6NO4- and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1,3-benzodioxole-5-carboxylate
Also Known As: 6-amino-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C8H6NO4- |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | -0.639 |
| Topological Polar Surface Area | 84.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.02968 |
| Heavy Atoms | 13 |
| Complexity | 374.65192 |
Chemical Identifiers
| CAS Number | 20332-16-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C(=O)[O-])N |
Product Overview
6-Amino-1,3-benzodioxole-5-carboxylate (CAS 20332-16-5), with molecular formula C8H6NO4- and molecular weight 180.03 g/mol. IUPAC: 6-amino-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 6-Amino-1,3-benzodioxole-5-carboxylate
Property Insights of 6-Amino-1,3-benzodioxole-5-carboxylate
The XLogP value of -0.639 indicates that 6-Amino-1,3-benzodioxole-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, 6-Amino-1,3-benzodioxole-5-carboxylate 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 6-Amino-1,3-benzodioxole-5-carboxylate?
The CAS number of 6-Amino-1,3-benzodioxole-5-carboxylate is 20332-16-5.
What is the molecular formula of 6-Amino-1,3-benzodioxole-5-carboxylate?
The molecular formula of 6-Amino-1,3-benzodioxole-5-carboxylate is C8H6NO4-.
What is the molecular weight of 6-Amino-1,3-benzodioxole-5-carboxylate?
The molecular weight of 6-Amino-1,3-benzodioxole-5-carboxylate is 180.03 g/mol.
Where can I buy 6-Amino-1,3-benzodioxole-5-carboxylate?
You can request a quote for 6-Amino-1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.