1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-
TL;DR: 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- (CAS 5857-62-5) is a chemical compound with molecular formula C31H30BrN3O3 and molecular weight 571.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[2-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
Also Known As: 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-, N-[1-[2-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
| Molecular Formula | C31H30BrN3O3 |
|---|---|
| Molecular Weight | 571.15 g/mol |
| LogP | 6.39442 |
| Topological Polar Surface Area | 79.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 571.14703 |
| Heavy Atoms | 38 |
| Complexity | 1447.9763 |
Chemical Identifiers
| CAS Number | 5857-62-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)OCC4=CC=C(C=C4)Br |
Product Overview
1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- (CAS 5857-62-5), with molecular formula C31H30BrN3O3 and molecular weight 571.15 g/mol. IUPAC: N-[1-[2-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
Chemical Property Profile of 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-
Property Insights of 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-
The XLogP value of 6.39442 indicates that 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-. Following Lipinski's Rule of Five, 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- 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 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-?
The CAS number of 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- is 5857-62-5.
What is the molecular formula of 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-?
The molecular formula of 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- is C31H30BrN3O3.
What is the molecular weight of 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-?
The molecular weight of 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- is 571.15 g/mol.
Where can I buy 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-?
You can request a quote for 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.