Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-
TL;DR: Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- (CAS 85386-69-2) is a chemical compound with molecular formula C13H8FNO2S and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-fluoro-2-sulfanylidenebenzo[cd]indol-1-yl)acetic acid
Also Known As: Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-, 6-Fluoro-2-thioxobenz(cd)indole-1(2H)-acetic acid, Benz(cd)indole-1(2H)-acetic acid,6-fluoro-2-thioxo, 2-(6-fluoro-2-sulfanylidenebenzo[cd]indol-1-yl)acetic acid, (6-Fluoro-2-sulfanylidenebenzo[cd]indol-1(2H)-yl)acetic acid
| Molecular Formula | C13H8FNO2S |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 2.559 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.02597 |
| Heavy Atoms | 18 |
| Complexity | 698.69586 |
Chemical Identifiers
| CAS Number | 85386-69-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C(=C1)C(=S)N3CC(=O)O)F |
Product Overview
Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- (CAS 85386-69-2), with molecular formula C13H8FNO2S and molecular weight 261.03 g/mol. IUPAC: 2-(6-fluoro-2-sulfanylidenebenzo[cd]indol-1-yl)acetic acid.
Chemical Property Profile of Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-
Property Insights of Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-
The XLogP value of 2.559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-. With a topological polar surface area (TPSA) of 40.54 Ų, Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- has 1 hydrogen bond donor(s) and 2 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 Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-?
The CAS number of Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- is 85386-69-2.
What is the molecular formula of Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-?
The molecular formula of Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- is C13H8FNO2S.
What is the molecular weight of Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-?
The molecular weight of Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- is 261.03 g/mol.
Where can I buy Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-?
You can request a quote for Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for Benz(cd)indole-1(2H)-acetic acid, 6-fluoro-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.