3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid
TL;DR: 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid (CAS 799784-15-9) is a chemical compound with molecular formula C17H13NO4S and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid
Also Known As: 3-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid, 3-[(1-amino-9,10-diketo-2-anthryl)thio]propionic acid, 3-[(1-amino-9,10-dioxo-2-anthracenyl)thio]propanoic acid, 3-(1-amino-9,10-dioxo-anthracen-2-yl)sulfanylpropanoic Acid, 3-((1-amino-9,10-dioxo-9,10-dihydroanthracen-2-yl)thio)propanoic acid
| Molecular Formula | C17H13NO4S |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 2.611 |
| Topological Polar Surface Area | 97.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.05652 |
| Heavy Atoms | 23 |
| Complexity | 844.4822 |
Chemical Identifiers
| CAS Number | 799784-15-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCCC(=O)O)N |
Product Overview
3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid (CAS 799784-15-9), with molecular formula C17H13NO4S and molecular weight 327.06 g/mol. IUPAC: 3-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid.
Chemical Property Profile of 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid
Property Insights of 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid
The XLogP value of 2.611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid. The TPSA of 97.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid. Following Lipinski's Rule of Five, 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid has 2 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 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid?
The CAS number of 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid is 799784-15-9.
What is the molecular formula of 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid?
The molecular formula of 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid is C17H13NO4S.
What is the molecular weight of 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid?
The molecular weight of 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid is 327.06 g/mol.
Where can I buy 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid?
You can request a quote for 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Amino-9,10-dioxoanthracen-2-yl)sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.