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Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester
TL;DR: Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester (CAS 72138-86-4) is a chemical compound with molecular formula C21H24O5 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-benzoyloxypropoxy)propyl 4-methylbenzoate
Also Known As: 4-Methylbenzoicacid3-[3- propoxy]propylester, Benzoic acid, 4-methyl-, 3-(3-(benzoyloxy)propoxy)propyl ester, 3-(3-benzoyloxypropoxy)propyl 4-methylbenzoate, Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester, 3-[3-(4-methylbenzoyloxy)propoxy]propyl benzoate
| Molecular Formula | C21H24O5 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 3.80562 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 356.16238 |
| Heavy Atoms | 26 |
| Complexity | 679.30743 |
Chemical Identifiers
| CAS Number | 72138-86-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCCCOCCCOC(=O)C2=CC=CC=C2 |
Product Overview
Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester (CAS 72138-86-4), with molecular formula C21H24O5 and molecular weight 356.16 g/mol. IUPAC: 3-(3-benzoyloxypropoxy)propyl 4-methylbenzoate.
Chemical Property Profile of Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester
Property Insights of Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester
The XLogP value of 3.80562 indicates that Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl 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-, 3-[3-(benzoyloxy)propoxy]propyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl 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-, 3-[3-(benzoyloxy)propoxy]propyl ester?
The CAS number of Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester is 72138-86-4.
What is the molecular formula of Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester?
The molecular formula of Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester is C21H24O5.
What is the molecular weight of Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester?
The molecular weight of Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester is 356.16 g/mol.
Where can I buy Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester?
You can request a quote for Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl 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-, 3-[3-(benzoyloxy)propoxy]propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-methyl-, 3-[3-(benzoyloxy)propoxy]propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.