1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate
TL;DR: 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate (CAS 6277-77-6) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(1-butoxy-1-oxopropan-2-yl) 1-O-butyl benzene-1,2-dicarboxylate
Also Known As: 1-butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate, 2-(4-methoxyphenyl)-4,5-dimethyl-1,3-dioxolane, phthalic acid 1-butoxycarbonyl-ethyl ester butyl ester, 2-O-(1-butoxy-1-oxopropan-2-yl) 1-O-butyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylicacid, 1-(2-butoxy-1-methyl-2-oxoethyl) 2-butyl ester
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 6277-77-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)OCCCC |
| InChIKey | BONVKIQEIFMNFX-UHFFFAOYSA-N |
Product Overview
1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate (CAS 6277-77-6), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: 2-O-(1-butoxy-1-oxopropan-2-yl) 1-O-butyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate
Property Insights of 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate
The XLogP value of 5.0 indicates that 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate. Following Lipinski's Rule of Five, 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 6 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-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate?
The CAS number of 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate is 6277-77-6.
What is the molecular formula of 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate?
The molecular formula of 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate is C19H26O6.
What is the molecular weight of 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate?
The molecular weight of 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate is 350.17 g/mol.
Where can I buy 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate?
You can request a quote for 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-1-oxopropan-2-yl butyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.