RefChem:1058159
TL;DR: RefChem:1058159 (CAS 109793-76-2) is a chemical compound with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride
Also Known As: 3-(1-(Cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-1H-indole hydrochloride, 1H-Indole, 3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-5-nitro-, monohydrochloride, 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole;chloride, 1-(cyclopropylmethyl)-4-(5-nitro-1h-indol-3-yl)-1,2,3,6-tetrahydropyridinium chloride, 1H-INDOLE, 3-(1-(CYCLOPROPYLMETHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-5-NITRO-, MO
| Molecular Formula | C17H20ClN3O2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | -0.84 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.1244 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 109793-76-2 |
|---|---|
| SMILES | C1CC1C[NH+]2CCC(=CC2)C3=CNC4=C3C=C(C=C4)[N+](=O)[O-].[Cl-] |
| InChIKey | OIMQESOYVVCCHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1058159 (CAS 109793-76-2), with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol. IUPAC: 3-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]-5-nitro-1H-indole chloride.
Chemical Property Profile of RefChem:1058159
Property Insights of RefChem:1058159
The XLogP value of -0.84 indicates that RefChem:1058159 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058159. Following Lipinski's Rule of Five, RefChem:1058159 has 2 hydrogen bond donor(s) and 3 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 RefChem:1058159?
The CAS number of RefChem:1058159 is 109793-76-2.
What is the molecular formula of RefChem:1058159?
The molecular formula of RefChem:1058159 is C17H20ClN3O2.
What is the molecular weight of RefChem:1058159?
The molecular weight of RefChem:1058159 is 333.12 g/mol.
Where can I buy RefChem:1058159?
You can request a quote for RefChem:1058159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058159?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.