RefChem:437875
TL;DR: RefChem:437875 (CAS 60520-30-1) is a chemical compound with molecular formula C39H55ClN6O5 and molecular weight 722.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-oxopentanamide
Also Known As: Nomifensine,3'-hydroxy-4'-methoxy, 1H-1,2,4-Triazole-1-acetamide, N-(5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-alpha-(2,2-dimethyl-1-oxopropyl)-3-(4-morpholinyl)-, 1H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-.alpha.-(2,2-dimethyl-1-oxopropyl)-3-(4-morpholinyl)-, 1H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-alpha-(2,2-dimethyl-1-oxopropyl)-3-(4-morpholinyl)-, N-(5-((4-(2,4-Bis(tert-pentyl)phenoxy)butyryl)amino)-2-chlorophenyl)-alpha-pivaloyl-3-morpholino-1H-1,2,4-triazole-1-acetamide
| Molecular Formula | C39H55ClN6O5 |
|---|---|
| Molecular Weight | 722.39 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 722.3923 |
| Heavy Atoms | 51 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 60520-30-1 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)N3C=NC(=N3)N4CCOCC4)C(C)(C)CC |
| InChIKey | JOLWJJOUIJWCAH-UHFFFAOYSA-N |
Product Overview
RefChem:437875 (CAS 60520-30-1), with molecular formula C39H55ClN6O5 and molecular weight 722.39 g/mol. IUPAC: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-oxopentanamide.
Chemical Property Profile of RefChem:437875
Property Insights of RefChem:437875
The XLogP value of 9.2 indicates that RefChem:437875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:437875. Following Lipinski's Rule of Five, RefChem:437875 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:437875?
The CAS number of RefChem:437875 is 60520-30-1.
What is the molecular formula of RefChem:437875?
The molecular formula of RefChem:437875 is C39H55ClN6O5.
What is the molecular weight of RefChem:437875?
The molecular weight of RefChem:437875 is 722.39 g/mol.
Where can I buy RefChem:437875?
You can request a quote for RefChem:437875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:437875?
Yes, KEHONG BIO provides custom synthesis services for RefChem:437875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.