Trimethylene glycol di-p-aminobenzoate
TL;DR: Trimethylene glycol di-p-aminobenzoate (CAS 57609-64-0) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminobenzoyl)oxypropyl 4-aminobenzoate
Also Known As: Propane-1,3-diyl bis(4-aminobenzoate), Polacure 740M, Trimethylenebis, Trimethylene Bis(4-aminobenzoate), 1,3-Propanediol bis(4-aminobenzoate)
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 57609-64-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCCOC(=O)C2=CC=C(C=C2)N)N |
| InChIKey | YPACMOORZSDQDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylene glycol di-p-aminobenzoate (CAS 57609-64-0), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 3-(4-aminobenzoyl)oxypropyl 4-aminobenzoate.
Chemical Property Profile of Trimethylene glycol di-p-aminobenzoate
Property Insights of Trimethylene glycol di-p-aminobenzoate
The XLogP value of 3.7 indicates that Trimethylene glycol di-p-aminobenzoate 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 Trimethylene glycol di-p-aminobenzoate. Following Lipinski's Rule of Five, Trimethylene glycol di-p-aminobenzoate has 2 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 Trimethylene glycol di-p-aminobenzoate?
The CAS number of Trimethylene glycol di-p-aminobenzoate is 57609-64-0.
What is the molecular formula of Trimethylene glycol di-p-aminobenzoate?
The molecular formula of Trimethylene glycol di-p-aminobenzoate is C17H18N2O4.
What is the molecular weight of Trimethylene glycol di-p-aminobenzoate?
The molecular weight of Trimethylene glycol di-p-aminobenzoate is 314.13 g/mol.
Where can I buy Trimethylene glycol di-p-aminobenzoate?
You can request a quote for Trimethylene glycol di-p-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylene glycol di-p-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylene glycol di-p-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.