Triethyl 3-acetylpentane-1,3,5-tricarboxylate
TL;DR: Triethyl 3-acetylpentane-1,3,5-tricarboxylate (CAS 72948-75-5) is a chemical compound with molecular formula C16H26O7 and molecular weight 330.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 3-acetylpentane-1,3,5-tricarboxylate
Also Known As: triethyl 3-acetylpentane-1,3,5-tricarboxylate, J2.781.985K, 1,3,5-triethyl 3-acetylpentane-1,3,5-tricarboxylate, 3-Acetylpentane-1,3,5-tricarboxylic acid=triethyl, 1,3,5-Pentanetricarboxylicacid, 3-acetyl-, 1,3,5-triethyl ester
| Molecular Formula | C16H26O7 |
|---|---|
| Molecular Weight | 330.17 g/mol |
| LogP | 1.8115 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 330.16785 |
| Heavy Atoms | 23 |
| Complexity | 406.14468 |
Chemical Identifiers
| CAS Number | 72948-75-5 |
|---|---|
| SMILES | CCOC(=O)CCC(CCC(=O)OCC)(C(=O)C)C(=O)OCC |
Product Overview
Triethyl 3-acetylpentane-1,3,5-tricarboxylate (CAS 72948-75-5), with molecular formula C16H26O7 and molecular weight 330.17 g/mol. IUPAC: triethyl 3-acetylpentane-1,3,5-tricarboxylate.
Chemical Property Profile of Triethyl 3-acetylpentane-1,3,5-tricarboxylate
Property Insights of Triethyl 3-acetylpentane-1,3,5-tricarboxylate
The XLogP value of 1.8115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 3-acetylpentane-1,3,5-tricarboxylate. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 3-acetylpentane-1,3,5-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 3-acetylpentane-1,3,5-tricarboxylate has 0 hydrogen bond donor(s) and 7 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 Triethyl 3-acetylpentane-1,3,5-tricarboxylate?
The CAS number of Triethyl 3-acetylpentane-1,3,5-tricarboxylate is 72948-75-5.
What is the molecular formula of Triethyl 3-acetylpentane-1,3,5-tricarboxylate?
The molecular formula of Triethyl 3-acetylpentane-1,3,5-tricarboxylate is C16H26O7.
What is the molecular weight of Triethyl 3-acetylpentane-1,3,5-tricarboxylate?
The molecular weight of Triethyl 3-acetylpentane-1,3,5-tricarboxylate is 330.17 g/mol.
Where can I buy Triethyl 3-acetylpentane-1,3,5-tricarboxylate?
You can request a quote for Triethyl 3-acetylpentane-1,3,5-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 3-acetylpentane-1,3,5-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 3-acetylpentane-1,3,5-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.