Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate
TL;DR: Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate (CAS 62333-39-5) is a chemical compound with molecular formula C18H31NO7 and molecular weight 373.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 1-acetamidoheptane-1,1,7-tricarboxylate
Also Known As: EINECS 263-512-5, Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate, triethyl 1-acetamidoheptane-1,1,7-tricarboxylate, 1,1,7-triethyl 1-acetamidoheptane-1,1,7-tricarboxylate, Triethyl 1-Acetamido-1,1,7-heptanetricarboxylate
| Molecular Formula | C18H31NO7 |
|---|---|
| Molecular Weight | 373.21 g/mol |
| LogP | 1.8912 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 373.21005 |
| Heavy Atoms | 26 |
| Complexity | 458.16006 |
Chemical Identifiers
| CAS Number | 62333-39-5 |
|---|---|
| SMILES | CCOC(=O)CCCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C |
Product Overview
Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate (CAS 62333-39-5), with molecular formula C18H31NO7 and molecular weight 373.21 g/mol. IUPAC: triethyl 1-acetamidoheptane-1,1,7-tricarboxylate.
Chemical Property Profile of Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate
Property Insights of Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate
The XLogP value of 1.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate has 1 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 1-(acetylamino)heptane-1,1,7-tricarboxylate?
The CAS number of Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate is 62333-39-5.
What is the molecular formula of Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate?
The molecular formula of Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate is C18H31NO7.
What is the molecular weight of Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate?
The molecular weight of Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate is 373.21 g/mol.
Where can I buy Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate?
You can request a quote for Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.