RefChem:1058174
TL;DR: RefChem:1058174 (CAS 72808-85-6) is a chemical compound with molecular formula C17H20Cl2N2 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]indole chloride
Also Known As: 5-Chloro-3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole hydrochloride, 1H-Indole, 5-chloro-3-(1-(cyclopropylmethyl)-1,2,3,6-tetrahydro-4-pyridinyl)-, monohydrochloride, 5-chloro-1-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]indole chloride, 1H-INDOLE, 5-CHLORO-3-(1-(CYCLOPROPYLMETHYL)-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-, M, RefChem:1058174
| Molecular Formula | C17H20Cl2N2 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 9.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.10034 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 72808-85-6 |
|---|---|
| SMILES | C1CC1C[NH+]2CCC(=CC2)N3C=CC4=C3C=CC(=C4)Cl.[Cl-] |
| InChIKey | CNBMAVQGMAXZRM-UHFFFAOYSA-N |
Product Overview
RefChem:1058174 (CAS 72808-85-6), with molecular formula C17H20Cl2N2 and molecular weight 322.10 g/mol. IUPAC: 5-chloro-1-[1-(cyclopropylmethyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]indole chloride.
Chemical Property Profile of RefChem:1058174
Property Insights of RefChem:1058174
The XLogP value of -0.16 indicates that RefChem:1058174 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.4 Ų, RefChem:1058174 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058174 has 1 hydrogen bond donor(s) and 1 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:1058174?
The CAS number of RefChem:1058174 is 72808-85-6.
What is the molecular formula of RefChem:1058174?
The molecular formula of RefChem:1058174 is C17H20Cl2N2.
What is the molecular weight of RefChem:1058174?
The molecular weight of RefChem:1058174 is 322.10 g/mol.
Where can I buy RefChem:1058174?
You can request a quote for RefChem:1058174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058174?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.