Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester
TL;DR: Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester (CAS 72138-87-5) is a chemical compound with molecular formula C22H26O5 and molecular weight 370.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-methylbenzoyl)oxypropoxy]propyl 4-methylbenzoate
Also Known As: Dipropylene glycol di-p-toluate, Benzoic acid, 4-methyl-, oxydi-3,1-propanediyl ester, Oxydi(propane-3,1-diyl) bis(4-methylbenzoate), Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester, 3-[3-(4-methylbenzoyl)oxypropoxy]propyl 4-methylbenzoate
| Molecular Formula | C22H26O5 |
|---|---|
| Molecular Weight | 370.18 g/mol |
| LogP | 4.11404 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 370.178 |
| Heavy Atoms | 27 |
| Complexity | 655.8733 |
Chemical Identifiers
| CAS Number | 72138-87-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCCCOCCCOC(=O)C2=CC=C(C=C2)C |
Product Overview
Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester (CAS 72138-87-5), with molecular formula C22H26O5 and molecular weight 370.18 g/mol. IUPAC: 3-[3-(4-methylbenzoyl)oxypropoxy]propyl 4-methylbenzoate.
Chemical Property Profile of Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester
Property Insights of Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester
The XLogP value of 4.11404 indicates that Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester. Following Lipinski's Rule of Five, Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester has 0 hydrogen bond donor(s) and 5 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 Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester?
The CAS number of Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester is 72138-87-5.
What is the molecular formula of Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester?
The molecular formula of Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester is C22H26O5.
What is the molecular weight of Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester?
The molecular weight of Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester is 370.18 g/mol.
Where can I buy Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester?
You can request a quote for Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-methyl-, 1,1'-(oxydi-3,1-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.