RefChem:1086285
TL;DR: RefChem:1086285 (CAS 72042-02-5) is a chemical compound with molecular formula C24H27N5S and molecular weight 417.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
Also Known As: Guanidine, 1-(1-adamantyl)-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, Guanidine, N-(2-methyl-4-quinolinyl)-N'-2-thiazolyl-N''-tricyclo(3.3.1.1(3,7))dec-1-yl-, N-(2-Methyl-4-quinolinyl)-N'-2-thiazolyl-N''-tricyclo(3.3.1.1(3,7))dec-1-ylguanidine, 1-(1-adamantyl)-2-(2-methylquinolin-4-yl)-1-(1,3-thiazol-2-yl)guanidine, 2-(1-adamantyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
| Molecular Formula | C24H27N5S |
|---|---|
| Molecular Weight | 417.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.19873 |
| Heavy Atoms | 30 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 72042-02-5 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)NC(=NC34CC5CC(C3)CC(C5)C4)NC6=NC=CS6 |
| InChIKey | WQLJPDHETNRRQI-UHFFFAOYSA-N |
Product Overview
RefChem:1086285 (CAS 72042-02-5), with molecular formula C24H27N5S and molecular weight 417.20 g/mol. IUPAC: 2-(1-adamantyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine.
Chemical Property Profile of RefChem:1086285
Property Insights of RefChem:1086285
The XLogP value of 5.3 indicates that RefChem:1086285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1086285. Following Lipinski's Rule of Five, RefChem:1086285 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:1086285?
The CAS number of RefChem:1086285 is 72042-02-5.
What is the molecular formula of RefChem:1086285?
The molecular formula of RefChem:1086285 is C24H27N5S.
What is the molecular weight of RefChem:1086285?
The molecular weight of RefChem:1086285 is 417.20 g/mol.
Where can I buy RefChem:1086285?
You can request a quote for RefChem:1086285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086285?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.