RefChem:233508
TL;DR: RefChem:233508 (CAS 101976-02-7) is a chemical compound with molecular formula C22H26Cl3N5O2 and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-4-methylpiperazine-1-carboxamide;dihydrochloride
Also Known As: 1-Piperazinecarboxamide, N-(5-(7-chloro-4-quinolylamino)-2-hydroxybenzyl)-4-methyl-, dihydrochloride, N-({5-[(7-Chloroquinolin-4-yl)amino]-2-hydroxyphenyl}methyl)-4-methylpiperazine-1-carboxamide--hydrogen chloride (1/2), N-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-4-methylpiperazine-1-carboxamide dihydrochloride, RefChem:233508
| Molecular Formula | C22H26Cl3N5O2 |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 4.638 |
| Topological Polar Surface Area | 80.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.1152 |
| Heavy Atoms | 32 |
| Complexity | 1074.6157 |
Chemical Identifiers
| CAS Number | 101976-02-7 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)O.Cl.Cl |
Product Overview
RefChem:233508 (CAS 101976-02-7), with molecular formula C22H26Cl3N5O2 and molecular weight 497.12 g/mol. IUPAC: N-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-4-methylpiperazine-1-carboxamide;dihydrochloride.
Chemical Property Profile of RefChem:233508
Property Insights of RefChem:233508
The XLogP value of 4.638 indicates that RefChem:233508 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233508. Following Lipinski's Rule of Five, RefChem:233508 has 3 hydrogen bond donor(s) and 5 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 RefChem:233508?
The CAS number of RefChem:233508 is 101976-02-7.
What is the molecular formula of RefChem:233508?
The molecular formula of RefChem:233508 is C22H26Cl3N5O2.
What is the molecular weight of RefChem:233508?
The molecular weight of RefChem:233508 is 497.12 g/mol.
Where can I buy RefChem:233508?
You can request a quote for RefChem:233508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233508?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.