2-Butanol, 1-methoxy-
TL;DR: 2-Butanol, 1-methoxy- (CAS 53778-73-7) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxybutan-2-ol
Also Known As: 1-METHOXY-2-BUTANOL, 1-Methoxybutan-2-ol, 2-Butanol, 1-methoxy-, rac-1-methoxy-2-butanol, CSZZMFWKAQEMPB-UHFFFAOYSA-
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 53778-73-7 |
|---|---|
| SMILES | CCC(COC)O |
| InChIKey | CSZZMFWKAQEMPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanol, 1-methoxy- (CAS 53778-73-7), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 1-methoxybutan-2-ol.
Chemical Property Profile of 2-Butanol, 1-methoxy-
Property Insights of 2-Butanol, 1-methoxy-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanol, 1-methoxy-. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Butanol, 1-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanol, 1-methoxy- has 1 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 2-Butanol, 1-methoxy-?
The CAS number of 2-Butanol, 1-methoxy- is 53778-73-7.
What is the molecular formula of 2-Butanol, 1-methoxy-?
The molecular formula of 2-Butanol, 1-methoxy- is C5H12O2.
What is the molecular weight of 2-Butanol, 1-methoxy-?
The molecular weight of 2-Butanol, 1-methoxy- is 104.08 g/mol.
Where can I buy 2-Butanol, 1-methoxy-?
You can request a quote for 2-Butanol, 1-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanol, 1-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanol, 1-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.