RefChem:335030
TL;DR: RefChem:335030 (CAS 17901-74-5) is a chemical compound with molecular formula C20H29ClN2 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-piperidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole chloride
Also Known As: 5,6,7,8,9,10-Hexahydro-5-(2-piperidinoethyl)-cyclohept(b)indole hydrochloride, Cyclohept(b)indole, 5,6,7,8,9,10-hexahydro-5-(2-piperidinoethyl)-, monohydrochloride, 5-(2-piperidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole chloride, CYCLOHEPT(b)INDOLE, 5,6,7,8,9,10-HEXAHYDRO-5-(2-PIPERIDINOETHYL)-, MONOHYDROCHLO, RefChem:335030
| Molecular Formula | C20H29ClN2 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | -0.02 |
| Topological Polar Surface Area | 9.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.20193 |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 17901-74-5 |
|---|---|
| SMILES | C1CCC2=C(CC1)N(C3=CC=CC=C23)CC[NH+]4CCCCC4.[Cl-] |
| InChIKey | BXRYAWLSMILYEC-UHFFFAOYSA-N |
Product Overview
RefChem:335030 (CAS 17901-74-5), with molecular formula C20H29ClN2 and molecular weight 332.20 g/mol. IUPAC: 5-(2-piperidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole chloride.
Chemical Property Profile of RefChem:335030
Property Insights of RefChem:335030
The XLogP value of -0.02 indicates that RefChem:335030 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:335030 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335030 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:335030?
The CAS number of RefChem:335030 is 17901-74-5.
What is the molecular formula of RefChem:335030?
The molecular formula of RefChem:335030 is C20H29ClN2.
What is the molecular weight of RefChem:335030?
The molecular weight of RefChem:335030 is 332.20 g/mol.
Where can I buy RefChem:335030?
You can request a quote for RefChem:335030 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335030?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335030 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.