4-Bromo-3-methoxybut-1-ene
TL;DR: 4-Bromo-3-methoxybut-1-ene (CAS 22427-00-5) is a chemical compound with molecular formula C5H9BrO and molecular weight 163.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-methoxybut-1-ene
Also Known As: 4-bromo-3-methoxybut-1-ene, 1-Butene,4-bromo-3-methoxy-, 1-bromobut-3-en-2-yl methyl ether, 1-Brom-2-methoxy-3-buten, 4-bromo-3-methoxy-1-butene
| Molecular Formula | C5H9BrO |
|---|---|
| Molecular Weight | 163.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.98367 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 22427-00-5 |
|---|---|
| SMILES | COC(CBr)C=C |
| InChIKey | YWWYRKKSGUWARJ-UHFFFAOYSA-N |
Product Overview
4-Bromo-3-methoxybut-1-ene (CAS 22427-00-5), with molecular formula C5H9BrO and molecular weight 163.98 g/mol. IUPAC: 4-bromo-3-methoxybut-1-ene.
Chemical Property Profile of 4-Bromo-3-methoxybut-1-ene
Property Insights of 4-Bromo-3-methoxybut-1-ene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-methoxybut-1-ene. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Bromo-3-methoxybut-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-methoxybut-1-ene has 0 hydrogen bond donor(s) and 1 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 4-Bromo-3-methoxybut-1-ene?
The CAS number of 4-Bromo-3-methoxybut-1-ene is 22427-00-5.
What is the molecular formula of 4-Bromo-3-methoxybut-1-ene?
The molecular formula of 4-Bromo-3-methoxybut-1-ene is C5H9BrO.
What is the molecular weight of 4-Bromo-3-methoxybut-1-ene?
The molecular weight of 4-Bromo-3-methoxybut-1-ene is 163.98 g/mol.
Where can I buy 4-Bromo-3-methoxybut-1-ene?
You can request a quote for 4-Bromo-3-methoxybut-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-methoxybut-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-methoxybut-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.