1,4-dimethoxybut-2-ene
TL;DR: 1,4-dimethoxybut-2-ene (CAS 41649-14-3) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethoxybut-2-ene
Also Known As: 1,4-dimethoxybut-2-ene, 2-Butene, 1,4-dimethoxy-, CIS-1,4-DIMETHOXY-2-BUTENE, 2-Butene,1,4-dimethoxy-, (2E)-, NCI60_005147
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 41649-14-3 |
|---|---|
| SMILES | COCC=CCOC |
| InChIKey | RXNMLQHZBCJMBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-dimethoxybut-2-ene (CAS 41649-14-3), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 1,4-dimethoxybut-2-ene.
Chemical Property Profile of 1,4-dimethoxybut-2-ene
Property Insights of 1,4-dimethoxybut-2-ene
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-dimethoxybut-2-ene. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-dimethoxybut-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-dimethoxybut-2-ene has 0 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 1,4-dimethoxybut-2-ene?
The CAS number of 1,4-dimethoxybut-2-ene is 41649-14-3.
What is the molecular formula of 1,4-dimethoxybut-2-ene?
The molecular formula of 1,4-dimethoxybut-2-ene is C6H12O2.
What is the molecular weight of 1,4-dimethoxybut-2-ene?
The molecular weight of 1,4-dimethoxybut-2-ene is 116.08 g/mol.
Where can I buy 1,4-dimethoxybut-2-ene?
You can request a quote for 1,4-dimethoxybut-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-dimethoxybut-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-dimethoxybut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.