1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate
TL;DR: 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate (CAS 7176-19-4) is a chemical compound with molecular formula C18H18O9 and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(oxiran-2-ylmethyl) benzene-1,3,5-tricarboxylate
Also Known As: Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate, tris(oxiran-2-ylmethyl) benzene-1,3,5-tricarboxylate, tris(oxiran-2-ylmethyl)benzene-1,3,5-tricarboxylate, Tris[(oxiran-2-yl)methyl] benzene-1,3,5-tricarboxylate, 1,3,5-Benzenetricarboxylic acid tris(oxiranylmethyl) ester
| Molecular Formula | C18H18O9 |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.0951 |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 7176-19-4 |
|---|---|
| SMILES | C1C(O1)COC(=O)C2=CC(=CC(=C2)C(=O)OCC3CO3)C(=O)OCC4CO4 |
| InChIKey | UNTJEZNVLMAXQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate (CAS 7176-19-4), with molecular formula C18H18O9 and molecular weight 378.10 g/mol. IUPAC: tris(oxiran-2-ylmethyl) benzene-1,3,5-tricarboxylate.
Chemical Property Profile of 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate
Property Insights of 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate. Following Lipinski's Rule of Five, 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate has 0 hydrogen bond donor(s) and 9 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 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate?
The CAS number of 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate is 7176-19-4.
What is the molecular formula of 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate?
The molecular formula of 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate is C18H18O9.
What is the molecular weight of 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate?
The molecular weight of 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate is 378.10 g/mol.
Where can I buy 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate?
You can request a quote for 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tris(2-oxiranylmethyl) 1,3,5-benzenetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.