3-Bromo-2,4-dimethylpenta-1,3-diene
TL;DR: 3-Bromo-2,4-dimethylpenta-1,3-diene (CAS 4773-87-9) is a chemical compound with molecular formula C7H11Br and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,4-dimethylpenta-1,3-diene
Also Known As: 3-bromo-2,4-dimethylpenta-1,3-diene, 3-bromo-2,4-dimethyl-penta-1,3-diene, 2,4-Dimethyl-3-bromo-1,3-pentadiene, 2,4-Dimethyl-3-bromo-2,4-pentadiene, J1.096.094K
| Molecular Formula | C7H11Br |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00441 |
| Heavy Atoms | 8 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 4773-87-9 |
|---|---|
| SMILES | CC(=C(C(=C)C)Br)C |
| InChIKey | XANSLPQJNKUKGT-UHFFFAOYSA-N |
Product Overview
3-Bromo-2,4-dimethylpenta-1,3-diene (CAS 4773-87-9), with molecular formula C7H11Br and molecular weight 174.00 g/mol. IUPAC: 3-bromo-2,4-dimethylpenta-1,3-diene.
Chemical Property Profile of 3-Bromo-2,4-dimethylpenta-1,3-diene
Property Insights of 3-Bromo-2,4-dimethylpenta-1,3-diene
The XLogP value of 3.8 indicates that 3-Bromo-2,4-dimethylpenta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Bromo-2,4-dimethylpenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,4-dimethylpenta-1,3-diene has 0 hydrogen bond donor(s) and 0 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 3-Bromo-2,4-dimethylpenta-1,3-diene?
The CAS number of 3-Bromo-2,4-dimethylpenta-1,3-diene is 4773-87-9.
What is the molecular formula of 3-Bromo-2,4-dimethylpenta-1,3-diene?
The molecular formula of 3-Bromo-2,4-dimethylpenta-1,3-diene is C7H11Br.
What is the molecular weight of 3-Bromo-2,4-dimethylpenta-1,3-diene?
The molecular weight of 3-Bromo-2,4-dimethylpenta-1,3-diene is 174.00 g/mol.
Where can I buy 3-Bromo-2,4-dimethylpenta-1,3-diene?
You can request a quote for 3-Bromo-2,4-dimethylpenta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,4-dimethylpenta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,4-dimethylpenta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.