RefChem:437874
TL;DR: RefChem:437874 (CAS 60233-31-0) is a chemical compound with molecular formula C35H47Cl2N5O4 and molecular weight 671.30 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]-2-(3-chloro-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide
Also Known As: 1,3,5-trichloro-2-(2,3-dichlorophenyl)benzene, 1H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-.alpha.-(2,2-dimethyl-1-oxopropyl)-, 1H-1,2,4-Triazole-1-acetamide, N-(5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-, N-(5-((4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-1H-1,2,4-triazole-1-acetamide, 1H-1,2,4-Triazole-1-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-alpha-(2,2-dimethyl-1-oxopropyl)-
| Molecular Formula | C35H47Cl2N5O4 |
|---|---|
| Molecular Weight | 671.30 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 671.30054 |
| Heavy Atoms | 46 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 60233-31-0 |
|---|---|
| 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)Cl)C(C)(C)CC |
| InChIKey | ATJHJQBHCWMUBT-UHFFFAOYSA-N |
Product Overview
RefChem:437874 (CAS 60233-31-0), with molecular formula C35H47Cl2N5O4 and molecular weight 671.30 g/mol. IUPAC: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-2-(3-chloro-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide.
Chemical Property Profile of RefChem:437874
Property Insights of RefChem:437874
The XLogP value of 10.1 indicates that RefChem:437874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:437874. Following Lipinski's Rule of Five, RefChem:437874 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:437874?
The CAS number of RefChem:437874 is 60233-31-0.
What is the molecular formula of RefChem:437874?
The molecular formula of RefChem:437874 is C35H47Cl2N5O4.
What is the molecular weight of RefChem:437874?
The molecular weight of RefChem:437874 is 671.30 g/mol.
Where can I buy RefChem:437874?
You can request a quote for RefChem:437874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:437874?
Yes, KEHONG BIO provides custom synthesis services for RefChem:437874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.