5-氯-1H-吲哚-2,3-二酮
TL;DR: 5-氯-1H-吲哚-2,3-二酮 (CAS 17630-76-1) is a chemical compound with molecular formula C8H4ClNO2 and molecular weight 180.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-1H-吲哚-2,3-二酮
5-chloro-1H-indole-2,3-dione
Also Known As: 5-Chloroisatin, 5-chloroindoline-2,3-dione, 5-Chloro-1H-indole-2,3-dione, 5-chlorisatin, 1H-Indole-2,3-dione, 5-chloro-
| Molecular Formula | C8H4ClNO2 |
|---|---|
| Molecular Weight | 180.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.99306 |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 17630-76-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 |
| InChIKey | XHDJYQWGFIBCEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-1H-吲哚-2,3-二酮 (CAS 17630-76-1), with molecular formula C8H4ClNO2 and molecular weight 180.99 g/mol. IUPAC: 5-chloro-1H-indole-2,3-dione.
Chemical Property Profile of 5-氯-1H-吲哚-2,3-二酮
Property Insights of 5-氯-1H-吲哚-2,3-二酮
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-1H-吲哚-2,3-二酮. With a topological polar surface area (TPSA) of 46.2 Ų, 5-氯-1H-吲哚-2,3-二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-1H-吲哚-2,3-二酮 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 5-氯-1H-吲哚-2,3-二酮?
The CAS number of 5-氯-1H-吲哚-2,3-二酮 is 17630-76-1.
What is the molecular formula of 5-氯-1H-吲哚-2,3-二酮?
The molecular formula of 5-氯-1H-吲哚-2,3-二酮 is C8H4ClNO2.
What is the molecular weight of 5-氯-1H-吲哚-2,3-二酮?
The molecular weight of 5-氯-1H-吲哚-2,3-二酮 is 180.99 g/mol.
Where can I buy 5-氯-1H-吲哚-2,3-二酮?
You can request a quote for 5-氯-1H-吲哚-2,3-二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-1H-吲哚-2,3-二酮?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-1H-吲哚-2,3-二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.