N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine
TL;DR: N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine (CAS 76139-80-5) is a chemical compound with molecular formula C16H17ClN4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)guanidine
Also Known As: 2-(4-Methyl-[2]chinolyl)-anilin, 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)guanidine, 2-(4-chlorophenyl)-1-(3,4-dihydroquinolin-1(2h)-yl)guanidine, N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine
| Molecular Formula | C16H17ClN4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11417 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 76139-80-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)NC(=NC3=CC=C(C=C3)Cl)N |
| InChIKey | WOAPVWCBVXIOPU-UHFFFAOYSA-N |
Product Overview
N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine (CAS 76139-80-5), with molecular formula C16H17ClN4 and molecular weight 300.11 g/mol. IUPAC: 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)guanidine.
Chemical Property Profile of N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine
Property Insights of N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine
The XLogP value of 3.8 indicates that N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine has 2 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''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine?
The CAS number of N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine is 76139-80-5.
What is the molecular formula of N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine?
The molecular formula of N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine is C16H17ClN4.
What is the molecular weight of N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine?
The molecular weight of N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine is 300.11 g/mol.
Where can I buy N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine?
You can request a quote for N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine 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)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N''-(4-Chlorophenyl)-N-(3,4-dihydroquinolin-1(2H)-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.