RefChem:1090100
TL;DR: RefChem:1090100 (CAS 71079-61-3) is a chemical compound with molecular formula C22H28ClN5S and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethylcyclohexyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine;hydrochloride
Also Known As: Guanidine, 1-(2,3-dimethylcyclohexyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, monohydrochloride, N''-(2,3-Dimethylcyclohexyl)-N-(2-methylquinolin-4(1H)-ylidene)-N'-1,3-thiazol-2-ylguanidine--hydrogen chloride (1/1), 2-(2,3-dimethylcyclohexyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine hydrochloride, N''-(2,3-Dimethylcyclohexyl)-N-(2-methylquinolin-4(1H)-ylidene)-N'-(1,3-thiazol-2-yl)guanidine--hydrogen chloride (1/1), RefChem:1090100
| Molecular Formula | C22H28ClN5S |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 6.12622 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.17538 |
| Heavy Atoms | 29 |
| Complexity | 972.50287 |
Chemical Identifiers
| CAS Number | 71079-61-3 |
|---|---|
| SMILES | CC1CCCC(C1C)N=C(NC2=CC(=NC3=CC=CC=C32)C)NC4=NC=CS4.Cl |
Product Overview
RefChem:1090100 (CAS 71079-61-3), with molecular formula C22H28ClN5S and molecular weight 429.18 g/mol. IUPAC: 2-(2,3-dimethylcyclohexyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine;hydrochloride.
Chemical Property Profile of RefChem:1090100
Property Insights of RefChem:1090100
The XLogP value of 6.12622 indicates that RefChem:1090100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1090100. Following Lipinski's Rule of Five, RefChem:1090100 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1090100?
The CAS number of RefChem:1090100 is 71079-61-3.
What is the molecular formula of RefChem:1090100?
The molecular formula of RefChem:1090100 is C22H28ClN5S.
What is the molecular weight of RefChem:1090100?
The molecular weight of RefChem:1090100 is 429.18 g/mol.
Where can I buy RefChem:1090100?
You can request a quote for RefChem:1090100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090100?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.