Dibutoxymethanol
TL;DR: Dibutoxymethanol (CAS 54518-04-6) is a chemical compound with molecular formula C9H20O3 and molecular weight 176.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutoxymethanol
Also Known As: DIBUTOXYMETHANOL, dibutoxy-methanol, Methanol, dibutoxy-, RefChem:337336
| Molecular Formula | C9H20O3 |
|---|---|
| Molecular Weight | 176.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 176.14125 |
| Heavy Atoms | 12 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 54518-04-6 |
|---|---|
| SMILES | CCCCOC(O)OCCCC |
| InChIKey | XJQDMYMQYMSZNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutoxymethanol (CAS 54518-04-6), with molecular formula C9H20O3 and molecular weight 176.14 g/mol. IUPAC: dibutoxymethanol.
Chemical Property Profile of Dibutoxymethanol
Property Insights of Dibutoxymethanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutoxymethanol. With a topological polar surface area (TPSA) of 38.7 Ų, Dibutoxymethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutoxymethanol has 1 hydrogen bond donor(s) and 3 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 Dibutoxymethanol?
The CAS number of Dibutoxymethanol is 54518-04-6.
What is the molecular formula of Dibutoxymethanol?
The molecular formula of Dibutoxymethanol is C9H20O3.
What is the molecular weight of Dibutoxymethanol?
The molecular weight of Dibutoxymethanol is 176.14 g/mol.
Where can I buy Dibutoxymethanol?
You can request a quote for Dibutoxymethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutoxymethanol?
Yes, KEHONG BIO provides custom synthesis services for Dibutoxymethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.