EINECS 301-956-4
TL;DR: EINECS 301-956-4 (CAS 94087-64-6) is a chemical compound with molecular formula C36H47ClN4O7 and molecular weight 682.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-[2-chloro-5-[4-(2,4-ditert-butylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]-2-oxo-1H-imidazole-5-carboxylate
Also Known As: EINECS 301-956-4, Methyl 1-(1-((5-((4-(2,4-di-tert-butylphenoxy)butyryl)amino)-2-chlorophenyl)carbamoyl)-3,3-dimethyl-2-oxobutyl)-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylate, Methyl 1-[1-[[5-[[4-(2,4-di-tert-butylphenoxy)butyryl]amino]-2-chlorophenyl]carbamoyl]-3,3-dimethyl-2-oxobutyl]-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylate, 301-956-4, METHYL 1-[1-[[2-CHLORO-5-[4-(2,4-DITERT-BUTYLPHENOXY)BUTANOYLAMINO]PHENYL]CARBAMOYL]-3,3-DIMETHYL-2-OXO-BUTYL]-2-OXO-3H-IMIDAZOLE-4-CARBOXYLATE
| Molecular Formula | C36H47ClN4O7 |
|---|---|
| Molecular Weight | 682.31 g/mol |
| LogP | 6.8041 |
| Topological Polar Surface Area | 148.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 682.31335 |
| Heavy Atoms | 48 |
| Complexity | 1736.172 |
Chemical Identifiers
| CAS Number | 94087-64-6 |
|---|---|
| SMILES | CC(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=C(NC3=O)C(=O)OC)C(C)(C)C |
Product Overview
EINECS 301-956-4 (CAS 94087-64-6), with molecular formula C36H47ClN4O7 and molecular weight 682.31 g/mol. IUPAC: methyl 3-[1-[2-chloro-5-[4-(2,4-ditert-butylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]-2-oxo-1H-imidazole-5-carboxylate.
Chemical Property Profile of EINECS 301-956-4
Property Insights of EINECS 301-956-4
The XLogP value of 6.8041 indicates that EINECS 301-956-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.59 Ų indicates high polarity, suggesting EINECS 301-956-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 301-956-4 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 301-956-4?
The CAS number of EINECS 301-956-4 is 94087-64-6.
What is the molecular formula of EINECS 301-956-4?
The molecular formula of EINECS 301-956-4 is C36H47ClN4O7.
What is the molecular weight of EINECS 301-956-4?
The molecular weight of EINECS 301-956-4 is 682.31 g/mol.
Where can I buy EINECS 301-956-4?
You can request a quote for EINECS 301-956-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 301-956-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 301-956-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.