Ethyl hydrogen heptane-1,7-dioate
TL;DR: Ethyl hydrogen heptane-1,7-dioate (CAS 33018-91-6) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxy-7-oxoheptanoic acid
Also Known As: 7-ethoxy-7-oxoheptanoic acid, Monoethyl Pimelate, Ethyl Hydrogen Pimelate, Heptanedioic acid,1-ethyl ester, Pimelic Acid Monoethyl Ester
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 33018-91-6 |
|---|---|
| SMILES | CCOC(=O)CCCCCC(=O)O |
| InChIKey | NQYXFXWKKYGBNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl hydrogen heptane-1,7-dioate (CAS 33018-91-6), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 7-ethoxy-7-oxoheptanoic acid.
Chemical Property Profile of Ethyl hydrogen heptane-1,7-dioate
Property Insights of Ethyl hydrogen heptane-1,7-dioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hydrogen heptane-1,7-dioate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl hydrogen heptane-1,7-dioate. Following Lipinski's Rule of Five, Ethyl hydrogen heptane-1,7-dioate has 1 hydrogen bond donor(s) and 4 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 Ethyl hydrogen heptane-1,7-dioate?
The CAS number of Ethyl hydrogen heptane-1,7-dioate is 33018-91-6.
What is the molecular formula of Ethyl hydrogen heptane-1,7-dioate?
The molecular formula of Ethyl hydrogen heptane-1,7-dioate is C9H16O4.
What is the molecular weight of Ethyl hydrogen heptane-1,7-dioate?
The molecular weight of Ethyl hydrogen heptane-1,7-dioate is 188.10 g/mol.
Where can I buy Ethyl hydrogen heptane-1,7-dioate?
You can request a quote for Ethyl hydrogen heptane-1,7-dioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydrogen heptane-1,7-dioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydrogen heptane-1,7-dioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.