Dimethyl 2-methyl-5-methyleneadipate
TL;DR: Dimethyl 2-methyl-5-methyleneadipate (CAS 4513-62-6) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-methyl-5-methylidenehexanedioate
Also Known As: Dimethyl 2-methyl-5-methyleneadipate, 1,6-DIMETHYL 2-METHYL-5-METHYLIDENEHEXANEDIOATE, dimethyl 2-methyl-5-methylidenehexanedioate, Dimethyl 2-methyl-5-methylenehexanedioate, dimethyl2-methyl-5-methyleneadipate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 4513-62-6 |
|---|---|
| SMILES | CC(CCC(=C)C(=O)OC)C(=O)OC |
| InChIKey | SUISJNPVANLQPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-methyl-5-methyleneadipate (CAS 4513-62-6), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: dimethyl 2-methyl-5-methylidenehexanedioate.
Chemical Property Profile of Dimethyl 2-methyl-5-methyleneadipate
Property Insights of Dimethyl 2-methyl-5-methyleneadipate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-methyl-5-methyleneadipate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-methyl-5-methyleneadipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-methyl-5-methyleneadipate 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-methyl-5-methyleneadipate?
The CAS number of Dimethyl 2-methyl-5-methyleneadipate is 4513-62-6.
What is the molecular formula of Dimethyl 2-methyl-5-methyleneadipate?
The molecular formula of Dimethyl 2-methyl-5-methyleneadipate is C10H16O4.
What is the molecular weight of Dimethyl 2-methyl-5-methyleneadipate?
The molecular weight of Dimethyl 2-methyl-5-methyleneadipate is 200.10 g/mol.
Where can I buy Dimethyl 2-methyl-5-methyleneadipate?
You can request a quote for Dimethyl 2-methyl-5-methyleneadipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-methyl-5-methyleneadipate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-methyl-5-methyleneadipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.