![3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide structure](/static/products/1125/112575-55-0.webp)
3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide
TL;DR: 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide (CAS 112575-55-0) is a chemical compound with molecular formula C21H14ClN3O and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
Also Known As: 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide, AM-814/41095034, 3-chloro-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide, 3-chloro-N-(3-(pyridin-2-yl)isoquinolin-1-yl)benzamide, 3-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamide
| Molecular Formula | C21H14ClN3O |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 5.2025 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.08255 |
| Heavy Atoms | 26 |
| Complexity | 1096.6179 |
Chemical Identifiers
| CAS Number | 112575-55-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N=C2NC(=O)C3=CC(=CC=C3)Cl)C4=CC=CC=N4 |
Product Overview
3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide (CAS 112575-55-0), with molecular formula C21H14ClN3O and molecular weight 359.08 g/mol. IUPAC: 3-chloro-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.
Chemical Property Profile of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide
Property Insights of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide
The XLogP value of 5.2025 indicates that 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide?
The CAS number of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide is 112575-55-0.
What is the molecular formula of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide?
The molecular formula of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide is C21H14ClN3O.
What is the molecular weight of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide?
The molecular weight of 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide is 359.08 g/mol.
Where can I buy 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide?
You can request a quote for 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-N-[3-(2-pyridinyl)-1-isoquinolinyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.