Butyl phthalyl butyl glycolate
TL;DR: Butyl phthalyl butyl glycolate (CAS 85-70-1) is a chemical compound with molecular formula C18H24O6 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate
Also Known As: Butyl phthalyl butyl glycolate, Reomol 4pg, Butoxycarbonylmethyl butyl phthalate, Santicizer B-16, baicalein
| Molecular Formula | C18H24O6 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 336.1573 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
| Melting Point | BELOW -35 °C |
| Boiling Point | 345 °C |
| Density | 1.097 |
| Solubility | Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/ |
| Flash Point | 198.9 °C (199 °C) (Open cup) |
| Vapor Pressure | 0.00000707 [mmHg] |
Chemical Identifiers
| CAS Number | 85-70-1 |
|---|---|
| SMILES | CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC |
| InChIKey | GOJCZVPJCKEBQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl phthalyl butyl glycolate (CAS 85-70-1), with molecular formula C18H24O6 and molecular weight 336.16 g/mol. IUPAC: 2-O-(2-butoxy-2-oxoethyl) 1-O-butyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Butyl phthalyl butyl glycolate
Property Insights of Butyl phthalyl butyl glycolate
The XLogP value of 4.6 indicates that Butyl phthalyl butyl glycolate 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 Butyl phthalyl butyl glycolate. Following Lipinski's Rule of Five, Butyl phthalyl butyl glycolate 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 Butyl phthalyl butyl glycolate?
The CAS number of Butyl phthalyl butyl glycolate is 85-70-1.
What is the molecular formula of Butyl phthalyl butyl glycolate?
The molecular formula of Butyl phthalyl butyl glycolate is C18H24O6.
What is the molecular weight of Butyl phthalyl butyl glycolate?
The molecular weight of Butyl phthalyl butyl glycolate is 336.16 g/mol.
Where can I buy Butyl phthalyl butyl glycolate?
You can request a quote for Butyl phthalyl butyl glycolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl phthalyl butyl glycolate?
Yes, KEHONG BIO provides custom synthesis services for Butyl phthalyl butyl glycolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.