Acetic acid, dibutoxy-, butyl ester
TL;DR: Acetic acid, dibutoxy-, butyl ester (CAS 6187-14-0) is a chemical compound with molecular formula C14H28O4 and molecular weight 260.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-dibutoxyacetate
Also Known As: Butyl dibutoxyacetate, butyl 2,2-dibutoxyacetate, n-butyl dibutoxyacetate, Butyl dibutoxyacetate #, Butyl glyoxylate dibutylacetal
| Molecular Formula | C14H28O4 |
|---|---|
| Molecular Weight | 260.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 260.19876 |
| Heavy Atoms | 18 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 6187-14-0 |
|---|---|
| SMILES | CCCCOC(C(=O)OCCCC)OCCCC |
| InChIKey | LEQXXBBCRATLPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, dibutoxy-, butyl ester (CAS 6187-14-0), with molecular formula C14H28O4 and molecular weight 260.20 g/mol. IUPAC: butyl 2,2-dibutoxyacetate.
Chemical Property Profile of Acetic acid, dibutoxy-, butyl ester
Property Insights of Acetic acid, dibutoxy-, butyl ester
The XLogP value of 3.7 indicates that Acetic acid, dibutoxy-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Acetic acid, dibutoxy-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dibutoxy-, butyl ester has 0 hydrogen bond donor(s) and 4 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 Acetic acid, dibutoxy-, butyl ester?
The CAS number of Acetic acid, dibutoxy-, butyl ester is 6187-14-0.
What is the molecular formula of Acetic acid, dibutoxy-, butyl ester?
The molecular formula of Acetic acid, dibutoxy-, butyl ester is C14H28O4.
What is the molecular weight of Acetic acid, dibutoxy-, butyl ester?
The molecular weight of Acetic acid, dibutoxy-, butyl ester is 260.20 g/mol.
Where can I buy Acetic acid, dibutoxy-, butyl ester?
You can request a quote for Acetic acid, dibutoxy-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, dibutoxy-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dibutoxy-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.