[(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide
TL;DR: [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide (CAS 2302-90-1) is a chemical compound with molecular formula C14H23N3S and molecular weight 265.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylideneamino]thiourea
Also Known As: [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide|[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylideneamino]thiourea|HYDRAZINECARBOTHIOAMIDE,2-[1-METHYL-3-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-PROPEN-1-YLIDENE]-
| Molecular Formula | C14H23N3S |
|---|---|
| Molecular Weight | 265.16 g/mol |
| LogP | 3.2783 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.16125 |
| Heavy Atoms | 18 |
| Complexity | 416.75504 |
Chemical Identifiers
| CAS Number | 2302-90-1 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=NNC(=S)N)C |
Product Overview
[(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide (CAS 2302-90-1), with molecular formula C14H23N3S and molecular weight 265.16 g/mol. IUPAC: [4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylideneamino]thiourea.
Chemical Property Profile of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide
Property Insights of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide
The XLogP value of 3.2783 indicates that [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.41 Ų, [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide?
The CAS number of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide is 2302-90-1.
What is the molecular formula of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide?
The molecular formula of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide is C14H23N3S.
What is the molecular weight of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide?
The molecular weight of [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide is 265.16 g/mol.
Where can I buy [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide?
You can request a quote for [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide?
Yes, KEHONG BIO provides custom synthesis services for [(E)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.