Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-
TL;DR: Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo- (CAS 85386-72-7) is a chemical compound with molecular formula C13H7Cl2NO2S and molecular weight 310.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,8-dichloro-2-sulfanylidenebenzo[cd]indol-1-yl)acetic acid
Also Known As: 6,8-Dichloro-2-thioxobenz(cd)indole-1(2H)-acetic acid, Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-, (6,8-Dichloro-2-sulfanylidenebenzo[cd]indol-1(2H)-yl)acetic acid, RefChem:321074
| Molecular Formula | C13H7Cl2NO2S |
|---|---|
| Molecular Weight | 310.96 g/mol |
| LogP | 3.7267 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.95746 |
| Heavy Atoms | 19 |
| Complexity | 744.9909 |
Chemical Identifiers
| CAS Number | 85386-72-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=S)N(C3=C(C=C2Cl)Cl)CC(=O)O |
Product Overview
Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo- (CAS 85386-72-7), with molecular formula C13H7Cl2NO2S and molecular weight 310.96 g/mol. IUPAC: 2-(6,8-dichloro-2-sulfanylidenebenzo[cd]indol-1-yl)acetic acid.
Chemical Property Profile of Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-
Property Insights of Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-
The XLogP value of 3.7267 indicates that Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-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, 6,8-dichloro-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, 6,8-dichloro-2-thioxo-?
The CAS number of Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo- is 85386-72-7.
What is the molecular formula of Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-?
The molecular formula of Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo- is C13H7Cl2NO2S.
What is the molecular weight of Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-?
The molecular weight of Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo- is 310.96 g/mol.
Where can I buy Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-?
You can request a quote for Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-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, 6,8-dichloro-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.