Dimethyl heptanedioate
TL;DR: Dimethyl heptanedioate (CAS 1732-08-7) 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.
dimethyl heptanedioate
Also Known As: Dimethyl pimelate, Dimethyl heptanedioate, Dimethylpimelate, Pimelic acid dimethyl ester, Pimelic acid, dimethyl ester
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 1732-08-7 |
|---|---|
| SMILES | COC(=O)CCCCCC(=O)OC |
| InChIKey | SHWINQXIGSEZAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl heptanedioate (CAS 1732-08-7), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: dimethyl heptanedioate.
Chemical Property Profile of Dimethyl heptanedioate
Property Insights of Dimethyl heptanedioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl heptanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl heptanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl heptanedioate has 0 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 Dimethyl heptanedioate?
The CAS number of Dimethyl heptanedioate is 1732-08-7.
What is the molecular formula of Dimethyl heptanedioate?
The molecular formula of Dimethyl heptanedioate is C9H16O4.
What is the molecular weight of Dimethyl heptanedioate?
The molecular weight of Dimethyl heptanedioate is 188.10 g/mol.
Where can I buy Dimethyl heptanedioate?
You can request a quote for Dimethyl heptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl heptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl heptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.