Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate
TL;DR: Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate (CAS 3353-37-5) is a chemical compound with molecular formula C22H30O8 and molecular weight 422.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate
Also Known As: mn(ii) stearate, bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylicacid, 1,3-bis(2-butoxy-1-methyl-2-oxoethyl) ester, 1,3-Benzenedicarboxylicacid,1,3-bis(2-butoxy-1-methyl-2-oxoethyl)ester
| Molecular Formula | C22H30O8 |
|---|---|
| Molecular Weight | 422.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 422.19406 |
| Heavy Atoms | 30 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 3353-37-5 |
|---|---|
| SMILES | CCCCOC(=O)C(C)OC(=O)C1=CC(=CC=C1)C(=O)OC(C)C(=O)OCCCC |
| InChIKey | ONQBNAZNJBHXIL-UHFFFAOYSA-N |
Product Overview
Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate (CAS 3353-37-5), with molecular formula C22H30O8 and molecular weight 422.19 g/mol. IUPAC: bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate.
Chemical Property Profile of Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate
Property Insights of Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate
The XLogP value of 4.8 indicates that Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate?
The CAS number of Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate is 3353-37-5.
What is the molecular formula of Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate?
The molecular formula of Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate is C22H30O8.
What is the molecular weight of Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate?
The molecular weight of Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate is 422.19 g/mol.
Where can I buy Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate?
You can request a quote for Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-butoxy-1-oxopropan-2-yl) benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.