N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
TL;DR: N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide (CAS 338761-88-9) is a chemical compound with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
Also Known As: N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide, N-(3-chlorophenyl)-1-(cyanomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide, N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
| Molecular Formula | C18H16ClN3O |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 4.38498 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 23 |
| Complexity | 768.8572 |
Chemical Identifiers
| CAS Number | 338761-88-9 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)CC#N)C(=O)NC3=CC(=CC=C3)Cl |
Product Overview
N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide (CAS 338761-88-9), with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol. IUPAC: N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
Chemical Property Profile of N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
Property Insights of N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
The XLogP value of 4.38498 indicates that N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.13 Ų, N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide has 1 hydrogen bond donor(s) and 2 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-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide?
The CAS number of N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide is 338761-88-9.
What is the molecular formula of N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide?
The molecular formula of N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide is C18H16ClN3O.
What is the molecular weight of N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide?
The molecular weight of N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide is 325.10 g/mol.
Where can I buy N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide?
You can request a quote for N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.