Dimethyl 2-methylheptanedioate
TL;DR: Dimethyl 2-methylheptanedioate (CAS 33658-48-9) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-methylheptanedioate
Also Known As: Dimethyl 2-methylheptanedioate, 2-methylpimelic acid dimethyl ester, Dimethyl 2-methylpimelate, dimethyl 2-methyl pimelate, Dimethyl2-methylheptanedioate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 33658-48-9 |
|---|---|
| SMILES | CC(CCCCC(=O)OC)C(=O)OC |
| InChIKey | KNHPIDSTNJTCOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-methylheptanedioate (CAS 33658-48-9), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: dimethyl 2-methylheptanedioate.
Chemical Property Profile of Dimethyl 2-methylheptanedioate
Property Insights of Dimethyl 2-methylheptanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-methylheptanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-methylheptanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-methylheptanedioate 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 2-methylheptanedioate?
The CAS number of Dimethyl 2-methylheptanedioate is 33658-48-9.
What is the molecular formula of Dimethyl 2-methylheptanedioate?
The molecular formula of Dimethyl 2-methylheptanedioate is C10H18O4.
What is the molecular weight of Dimethyl 2-methylheptanedioate?
The molecular weight of Dimethyl 2-methylheptanedioate is 202.12 g/mol.
Where can I buy Dimethyl 2-methylheptanedioate?
You can request a quote for Dimethyl 2-methylheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-methylheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-methylheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.