CID 82422
TL;DR: CID 82422 (CAS 6536-61-4) is a chemical compound with molecular formula C20H12ClNO8S3 and molecular weight 524.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(9-chloro-3-sulfooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] hydrogen sulfate
Also Known As: [2-(9-chloro-3-sulfooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] hydrogen sulfate|1H-Indol-3-ol, 2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, 3-(hydrogen sulfate)|2-[9-Chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl hydrogen sulfate|Indol-3-ol, 2-(9-chloro-3-hydroxynaphtho[1,2-b]thien-2-yl)-, bis(hydrogen sulfate)|1H-Indol-3-ol, 2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate (ester)
| Molecular Formula | C20H12ClNO8S3 |
|---|---|
| Molecular Weight | 524.94 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.94135 |
| Heavy Atoms | 33 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 6536-61-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=C(S3)C5=C(C=CC=C5Cl)C=C4)OS(=O)(=O)O)OS(=O)(=O)O |
| InChIKey | NRFUTWBVVHHZJI-UHFFFAOYSA-N |
Product Overview
CID 82422 (CAS 6536-61-4), with molecular formula C20H12ClNO8S3 and molecular weight 524.94 g/mol. IUPAC: [2-(9-chloro-3-sulfooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] hydrogen sulfate.
Chemical Property Profile of CID 82422
Property Insights of CID 82422
The XLogP value of 4.7 indicates that CID 82422 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.0 Ų indicates high polarity, suggesting CID 82422 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CID 82422 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CID 82422?
The CAS number of CID 82422 is 6536-61-4.
What is the molecular formula of CID 82422?
The molecular formula of CID 82422 is C20H12ClNO8S3.
What is the molecular weight of CID 82422?
The molecular weight of CID 82422 is 524.94 g/mol.
Where can I buy CID 82422?
You can request a quote for CID 82422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 82422?
Yes, KEHONG BIO provides custom synthesis services for CID 82422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.