RefChem:349977
TL;DR: RefChem:349977 (CAS 92123-85-8) is a chemical compound with molecular formula C21H21ClN2 and molecular weight 336.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline;hydrochloride
Also Known As: Isoquinoline, 1-(2-methylphenyl)-3-(1,2,5,6-tetrahydro-4-pyridinyl)-, hydrochloride, 1-(2-Methylphenyl)-3-(1,2,5,6-tetrahydro-4-pyridyl)isoquinoline hydrochloride, 1-(2-Methylphenyl)-3-(1,2,5,6-tetrahydro-4-pyridinyl)isoquinoline hydrochloride, 1-(2-methylphenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline hydrochloride, 1-(2-Methylphenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline--hydrogen chloride (1/1)
| Molecular Formula | C21H21ClN2 |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 5.00872 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1393 |
| Heavy Atoms | 24 |
| Complexity | 899.23425 |
Chemical Identifiers
| CAS Number | 92123-85-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC(=CC3=CC=CC=C32)C4=CCNCC4.Cl |
Product Overview
RefChem:349977 (CAS 92123-85-8), with molecular formula C21H21ClN2 and molecular weight 336.14 g/mol. IUPAC: 1-(2-methylphenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline;hydrochloride.
Chemical Property Profile of RefChem:349977
Property Insights of RefChem:349977
The XLogP value of 5.00872 indicates that RefChem:349977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, RefChem:349977 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349977 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349977?
The CAS number of RefChem:349977 is 92123-85-8.
What is the molecular formula of RefChem:349977?
The molecular formula of RefChem:349977 is C21H21ClN2.
What is the molecular weight of RefChem:349977?
The molecular weight of RefChem:349977 is 336.14 g/mol.
Where can I buy RefChem:349977?
You can request a quote for RefChem:349977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349977?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.