2-(9H-thioxanthen-9-yl)propanedioic acid
TL;DR: 2-(9H-thioxanthen-9-yl)propanedioic acid (CAS 5923-05-7) is a chemical compound with molecular formula C16H12O4S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9H-thioxanthen-9-yl)propanedioic acid
Also Known As: 2-(9H-thioxanthen-9-yl)propanedioic acid, 9H-thioxanthen-9-ylmalonic acid, (9H-Thioxanthen-9-yl)propanedioic acid, BIM-0021336.P001
| Molecular Formula | C16H12O4S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 3.0685 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.04562 |
| Heavy Atoms | 21 |
| Complexity | 666.22186 |
Chemical Identifiers
| CAS Number | 5923-05-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)C(C(=O)O)C(=O)O |
Product Overview
2-(9H-thioxanthen-9-yl)propanedioic acid (CAS 5923-05-7), with molecular formula C16H12O4S and molecular weight 300.05 g/mol. IUPAC: 2-(9H-thioxanthen-9-yl)propanedioic acid.
Chemical Property Profile of 2-(9H-thioxanthen-9-yl)propanedioic acid
Property Insights of 2-(9H-thioxanthen-9-yl)propanedioic acid
The XLogP value of 3.0685 indicates that 2-(9H-thioxanthen-9-yl)propanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(9H-thioxanthen-9-yl)propanedioic acid. Following Lipinski's Rule of Five, 2-(9H-thioxanthen-9-yl)propanedioic acid has 2 hydrogen bond donor(s) and 3 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-(9H-thioxanthen-9-yl)propanedioic acid?
The CAS number of 2-(9H-thioxanthen-9-yl)propanedioic acid is 5923-05-7.
What is the molecular formula of 2-(9H-thioxanthen-9-yl)propanedioic acid?
The molecular formula of 2-(9H-thioxanthen-9-yl)propanedioic acid is C16H12O4S.
What is the molecular weight of 2-(9H-thioxanthen-9-yl)propanedioic acid?
The molecular weight of 2-(9H-thioxanthen-9-yl)propanedioic acid is 300.05 g/mol.
Where can I buy 2-(9H-thioxanthen-9-yl)propanedioic acid?
You can request a quote for 2-(9H-thioxanthen-9-yl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(9H-thioxanthen-9-yl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(9H-thioxanthen-9-yl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.