Triethyl 3-cyanopentane-1,3,5-tricarboxylate
TL;DR: Triethyl 3-cyanopentane-1,3,5-tricarboxylate (CAS 65308-01-2) is a chemical compound with molecular formula C15H23NO6 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 3-cyanopentane-1,3,5-tricarboxylate
Also Known As: triethyl 3-cyanopentane-1,3,5-tricarboxylate, J1.821.056H, Triethyl 3-cyano-1,3,5-pentanetricarboxylate, 1,3,5-Pentanetricarboxylicacid, 3-cyano-, 1,3,5-triethyl ester, diethyl 4-cyano-4-(ethoxycarbonyl)heptane-1,7-dioate
| Molecular Formula | C15H23NO6 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 313.15253 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 65308-01-2 |
|---|---|
| SMILES | CCOC(=O)CCC(CCC(=O)OCC)(C#N)C(=O)OCC |
| InChIKey | KWGZTKPIPLQODU-UHFFFAOYSA-N |
Product Overview
Triethyl 3-cyanopentane-1,3,5-tricarboxylate (CAS 65308-01-2), with molecular formula C15H23NO6 and molecular weight 313.15 g/mol. IUPAC: triethyl 3-cyanopentane-1,3,5-tricarboxylate.
Chemical Property Profile of Triethyl 3-cyanopentane-1,3,5-tricarboxylate
Property Insights of Triethyl 3-cyanopentane-1,3,5-tricarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 3-cyanopentane-1,3,5-tricarboxylate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 3-cyanopentane-1,3,5-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 3-cyanopentane-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-cyanopentane-1,3,5-tricarboxylate?
The CAS number of Triethyl 3-cyanopentane-1,3,5-tricarboxylate is 65308-01-2.
What is the molecular formula of Triethyl 3-cyanopentane-1,3,5-tricarboxylate?
The molecular formula of Triethyl 3-cyanopentane-1,3,5-tricarboxylate is C15H23NO6.
What is the molecular weight of Triethyl 3-cyanopentane-1,3,5-tricarboxylate?
The molecular weight of Triethyl 3-cyanopentane-1,3,5-tricarboxylate is 313.15 g/mol.
Where can I buy Triethyl 3-cyanopentane-1,3,5-tricarboxylate?
You can request a quote for Triethyl 3-cyanopentane-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-cyanopentane-1,3,5-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 3-cyanopentane-1,3,5-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.