1-甲氧基丁烷
TL;DR: 1-甲氧基丁烷 (CAS 628-28-4) is a chemical compound with molecular formula C5H12O and molecular weight 88.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲氧基丁烷
1-methoxybutane
Also Known As: 1-Methoxybutane, BUTYL METHYL ETHER, Methyl n-butyl ether, Butane, 1-methoxy-, n-Butyl methyl ether
| Molecular Formula | C5H12O |
|---|---|
| Molecular Weight | 88.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 88.08881 |
| Heavy Atoms | 6 |
| Complexity | 19.0 |
| Vapor Pressure | 139.0 [mmHg] |
Chemical Identifiers
| CAS Number | 628-28-4 |
|---|---|
| SMILES | CCCCOC |
| InChIKey | CXBDYQVECUFKRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲氧基丁烷 (CAS 628-28-4), with molecular formula C5H12O and molecular weight 88.09 g/mol. IUPAC: 1-methoxybutane.
Chemical Property Profile of 1-甲氧基丁烷
Property Insights of 1-甲氧基丁烷
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲氧基丁烷. With a topological polar surface area (TPSA) of 9.2 Ų, 1-甲氧基丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲氧基丁烷 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 1-甲氧基丁烷?
The CAS number of 1-甲氧基丁烷 is 628-28-4.
What is the molecular formula of 1-甲氧基丁烷?
The molecular formula of 1-甲氧基丁烷 is C5H12O.
What is the molecular weight of 1-甲氧基丁烷?
The molecular weight of 1-甲氧基丁烷 is 88.09 g/mol.
Where can I buy 1-甲氧基丁烷?
You can request a quote for 1-甲氧基丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲氧基丁烷?
Yes, KEHONG BIO provides custom synthesis services for 1-甲氧基丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.