2-Anthracen-9-ylsulfanylacetic acid
TL;DR: 2-Anthracen-9-ylsulfanylacetic acid (CAS 101277-99-0) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anthracen-9-ylsulfanylacetic acid
Also Known As: (9-anthrylthio)acetic acid, (9-anthrylsulfanyl)acetic acid, 2-anthracen-9-ylsulfanylacetic acid, (anthracen-9-ylsulfanyl)acetic acid, (Anthracen-9-ylsulfanyl)-acetic acid
| Molecular Formula | C16H12O2S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0558 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 101277-99-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2SCC(=O)O |
| InChIKey | HJDCPALGGGFNOO-UHFFFAOYSA-N |
Product Overview
2-Anthracen-9-ylsulfanylacetic acid (CAS 101277-99-0), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: 2-anthracen-9-ylsulfanylacetic acid.
Chemical Property Profile of 2-Anthracen-9-ylsulfanylacetic acid
Property Insights of 2-Anthracen-9-ylsulfanylacetic acid
The XLogP value of 4.5 indicates that 2-Anthracen-9-ylsulfanylacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Anthracen-9-ylsulfanylacetic acid. Following Lipinski's Rule of Five, 2-Anthracen-9-ylsulfanylacetic acid has 1 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-Anthracen-9-ylsulfanylacetic acid?
The CAS number of 2-Anthracen-9-ylsulfanylacetic acid is 101277-99-0.
What is the molecular formula of 2-Anthracen-9-ylsulfanylacetic acid?
The molecular formula of 2-Anthracen-9-ylsulfanylacetic acid is C16H12O2S.
What is the molecular weight of 2-Anthracen-9-ylsulfanylacetic acid?
The molecular weight of 2-Anthracen-9-ylsulfanylacetic acid is 268.06 g/mol.
Where can I buy 2-Anthracen-9-ylsulfanylacetic acid?
You can request a quote for 2-Anthracen-9-ylsulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anthracen-9-ylsulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Anthracen-9-ylsulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.