(2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate
TL;DR: (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate (CAS 485371-72-0) is a chemical compound with molecular formula C16H11NO6S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate
Also Known As: (2-amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate, 2-Amino-2-oxoethyl 9,10,10-trioxo-9,10-dihydro-10lambda~6~-thioxanthene-3-carboxylate
| Molecular Formula | C16H11NO6S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 0.7059 |
| Topological Polar Surface Area | 120.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.0307 |
| Heavy Atoms | 24 |
| Complexity | 993.37726 |
Chemical Identifiers
| CAS Number | 485371-72-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)N |
Product Overview
(2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate (CAS 485371-72-0), with molecular formula C16H11NO6S and molecular weight 345.03 g/mol. IUPAC: (2-amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate.
Chemical Property Profile of (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate
Property Insights of (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate
The XLogP value of 0.7059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate. The TPSA of 120.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate. Following Lipinski's Rule of Five, (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate has 1 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 (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate?
The CAS number of (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate is 485371-72-0.
What is the molecular formula of (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate?
The molecular formula of (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate is C16H11NO6S.
What is the molecular weight of (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate?
The molecular weight of (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate is 345.03 g/mol.
Where can I buy (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate?
You can request a quote for (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.