2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol
TL;DR: 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol (CAS 80018-41-3) is a chemical compound with molecular formula C21H26ClNO and molecular weight 343.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]phenol
Also Known As: Phenol,2-( -4- -, 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol, Phenol, 2-((butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)-, (6E)-4-tert-butyl-6-[butylamino-(4-chlorophenyl)methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H26ClNO |
|---|---|
| Molecular Weight | 343.17 g/mol |
| LogP | 5.9806 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1703 |
| Heavy Atoms | 24 |
| Complexity | 711.6089 |
Chemical Identifiers
| CAS Number | 80018-41-3 |
|---|---|
| SMILES | CCCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)C(C)(C)C)O |
Product Overview
2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol (CAS 80018-41-3), with molecular formula C21H26ClNO and molecular weight 343.17 g/mol. IUPAC: 4-tert-butyl-2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]phenol.
Chemical Property Profile of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol
Property Insights of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol
The XLogP value of 5.9806 indicates that 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol?
The CAS number of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol is 80018-41-3.
What is the molecular formula of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol?
The molecular formula of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol is C21H26ClNO.
What is the molecular weight of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol?
The molecular weight of 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol is 343.17 g/mol.
Where can I buy 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol?
You can request a quote for 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.