N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
TL;DR: N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide (CAS 333444-56-7) is a chemical compound with molecular formula C16H15ClN2O and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
Also Known As: BAS 05338702, N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide, BRD-K33107225-001-07-3, N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide, 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (4-chloro-phenyl)-amide
| Molecular Formula | C16H15ClN2O |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 3.9302 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.08728 |
| Heavy Atoms | 20 |
| Complexity | 624.6289 |
Chemical Identifiers
| CAS Number | 333444-56-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide (CAS 333444-56-7), with molecular formula C16H15ClN2O and molecular weight 286.09 g/mol. IUPAC: N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
Chemical Property Profile of N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Property Insights of N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
The XLogP value of 3.9302 indicates that N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide 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 N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
The CAS number of N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is 333444-56-7.
What is the molecular formula of N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
The molecular formula of N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is C16H15ClN2O.
What is the molecular weight of N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
The molecular weight of N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is 286.09 g/mol.
Where can I buy N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
You can request a quote for N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.