RefChem:296537
TL;DR: RefChem:296537 (CAS 71079-22-6) is a chemical compound with molecular formula C23H27N5O2S and molecular weight 437.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[N'-cyclohexyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate
Also Known As: 4-Thiazolecarboxylic acid, 2-(((cyclohexylamino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester, Ethyl 2-((N-cyclohexyl-N'-(2-methylquinolyl)amidino)amino)-4-thiazolecarboxylate, 4-Thiazolecarboxylic acid, 2-((N-cyclohexyl-N'-(2-methylquinolyl)amidino)amino)-, ethyl ester, 4-Thiazolecarboxylic acid, 2-(3-cyclohexyl-2-(2-methyl-4-quinolyl)guanidino)-, ethyl ester, ethyl 2-[[N'-cyclohexyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate
| Molecular Formula | C23H27N5O2S |
|---|---|
| Molecular Weight | 437.19 g/mol |
| LogP | 5.38912 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.18854 |
| Heavy Atoms | 31 |
| Complexity | 1088.5153 |
Chemical Identifiers
| CAS Number | 71079-22-6 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)NC(=NC2CCCCC2)NC3=CC(=NC4=CC=CC=C43)C |
Product Overview
RefChem:296537 (CAS 71079-22-6), with molecular formula C23H27N5O2S and molecular weight 437.19 g/mol. IUPAC: ethyl 2-[[N'-cyclohexyl-N-(2-methylquinolin-4-yl)carbamimidoyl]amino]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of RefChem:296537
Property Insights of RefChem:296537
The XLogP value of 5.38912 indicates that RefChem:296537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296537. Following Lipinski's Rule of Five, RefChem:296537 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:296537?
The CAS number of RefChem:296537 is 71079-22-6.
What is the molecular formula of RefChem:296537?
The molecular formula of RefChem:296537 is C23H27N5O2S.
What is the molecular weight of RefChem:296537?
The molecular weight of RefChem:296537 is 437.19 g/mol.
Where can I buy RefChem:296537?
You can request a quote for RefChem:296537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296537?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.