1,6-Dimethyl 2,5-dimethylhexanedioate
TL;DR: 1,6-Dimethyl 2,5-dimethylhexanedioate (CAS 19550-58-4) 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 2,5-dimethylhexanedioate
Also Known As: Dimethyl 2,5-dimethylhexanedioate, Dimethyl-2,5-Dimethyladipate, dimethyl 2,5-dimethyladipate, 1,6-dimethyl 2,5-dimethylhexanedioate, DIMETHYL 2,5-DIMETHYL ADIPATE
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.3848 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 178.29868 |
Chemical Identifiers
| CAS Number | 19550-58-4 |
|---|---|
| SMILES | CC(CCC(C)C(=O)OC)C(=O)OC |
Product Overview
1,6-Dimethyl 2,5-dimethylhexanedioate (CAS 19550-58-4), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: dimethyl 2,5-dimethylhexanedioate.
Chemical Property Profile of 1,6-Dimethyl 2,5-dimethylhexanedioate
Property Insights of 1,6-Dimethyl 2,5-dimethylhexanedioate
The XLogP value of 1.3848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dimethyl 2,5-dimethylhexanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,6-Dimethyl 2,5-dimethylhexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Dimethyl 2,5-dimethylhexanedioate 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 1,6-Dimethyl 2,5-dimethylhexanedioate?
The CAS number of 1,6-Dimethyl 2,5-dimethylhexanedioate is 19550-58-4.
What is the molecular formula of 1,6-Dimethyl 2,5-dimethylhexanedioate?
The molecular formula of 1,6-Dimethyl 2,5-dimethylhexanedioate is C10H18O4.
What is the molecular weight of 1,6-Dimethyl 2,5-dimethylhexanedioate?
The molecular weight of 1,6-Dimethyl 2,5-dimethylhexanedioate is 202.12 g/mol.
Where can I buy 1,6-Dimethyl 2,5-dimethylhexanedioate?
You can request a quote for 1,6-Dimethyl 2,5-dimethylhexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dimethyl 2,5-dimethylhexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dimethyl 2,5-dimethylhexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.