1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione
TL;DR: 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione (CAS 445378-67-6) is a chemical compound with molecular formula C12H8ClN5O2 and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione
Also Known As: 1qs4, 5CITEP, 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione, J1.723.290H, 1,3-Propanedione, 1-(5-chloro-1H-indol-3-yl)-3-(1H-tetrazol-5-yl)-
| Molecular Formula | C12H8ClN5O2 |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.03665 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 445378-67-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=CN2)C(=O)CC(=O)C3=NNN=N3 |
| InChIKey | JMBXYLPAKNXICJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione (CAS 445378-67-6), with molecular formula C12H8ClN5O2 and molecular weight 289.04 g/mol. IUPAC: 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione.
Chemical Property Profile of 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione
Property Insights of 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione. Following Lipinski's Rule of Five, 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione has 2 hydrogen bond donor(s) and 5 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 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione?
The CAS number of 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione is 445378-67-6.
What is the molecular formula of 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione?
The molecular formula of 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione is C12H8ClN5O2.
What is the molecular weight of 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione?
The molecular weight of 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione is 289.04 g/mol.
Where can I buy 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione?
You can request a quote for 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.