Methyl hydrogen heptane-1,7-dioate
TL;DR: Methyl hydrogen heptane-1,7-dioate (CAS 20291-40-1) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-7-oxoheptanoic acid
Also Known As: 7-Methoxy-7-oxoheptanoic acid, Monomethyl pimelate, Heptanedioic acid, 1-methyl ester, Methyl hydrogen heptane-1,7-dioate, 1-Methyl heptanedioate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 20291-40-1 |
|---|---|
| SMILES | COC(=O)CCCCCC(=O)O |
| InChIKey | YOLQOHRXBGFZED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl hydrogen heptane-1,7-dioate (CAS 20291-40-1), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 7-methoxy-7-oxoheptanoic acid.
Chemical Property Profile of Methyl hydrogen heptane-1,7-dioate
Property Insights of Methyl hydrogen heptane-1,7-dioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl hydrogen heptane-1,7-dioate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl hydrogen heptane-1,7-dioate. Following Lipinski's Rule of Five, Methyl 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 Methyl hydrogen heptane-1,7-dioate?
The CAS number of Methyl hydrogen heptane-1,7-dioate is 20291-40-1.
What is the molecular formula of Methyl hydrogen heptane-1,7-dioate?
The molecular formula of Methyl hydrogen heptane-1,7-dioate is C8H14O4.
What is the molecular weight of Methyl hydrogen heptane-1,7-dioate?
The molecular weight of Methyl hydrogen heptane-1,7-dioate is 174.09 g/mol.
Where can I buy Methyl hydrogen heptane-1,7-dioate?
You can request a quote for Methyl 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 Methyl hydrogen heptane-1,7-dioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl hydrogen heptane-1,7-dioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.