![3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid structure](/static/products/831/831200-56-7.png)
3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid
TL;DR: 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid (CAS 831200-56-7) is a chemical compound with molecular formula C21H14N2O5 and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',6'-diamino-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
Also Known As: 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid, 3',6'-diamino-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic Acid
| Molecular Formula | C21H14N2O5 |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.1172 |
| Topological Polar Surface Area | 124.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.09027 |
| Heavy Atoms | 28 |
| Complexity | 1149.8955 |
Chemical Identifiers
| CAS Number | 831200-56-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)N)OC5=C3C=CC(=C5)N)OC2=O |
Product Overview
3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid (CAS 831200-56-7), with molecular formula C21H14N2O5 and molecular weight 374.09 g/mol. IUPAC: 3',6'-diamino-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid.
Chemical Property Profile of 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid
Property Insights of 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid
The XLogP value of 3.1172 indicates that 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid. Following Lipinski's Rule of Five, 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid has 3 hydrogen bond donor(s) and 6 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 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid?
The CAS number of 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid is 831200-56-7.
What is the molecular formula of 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid?
The molecular formula of 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid is C21H14N2O5.
What is the molecular weight of 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid?
The molecular weight of 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid is 374.09 g/mol.
Where can I buy 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid?
You can request a quote for 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3',6'-diamino-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.