癸二酸二甲酯
TL;DR: 癸二酸二甲酯 (CAS 106-79-6) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
癸二酸二甲酯
dimethyl decanedioate
Also Known As: Dimethyl decanedioate, DIMETHYL SEBACATE, Methyl sebacate, Sebacic acid dimethyl ester, Decanedioic acid, dimethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 106-79-6 |
|---|---|
| SMILES | COC(=O)CCCCCCCCC(=O)OC |
| InChIKey | ALOUNLDAKADEEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
癸二酸二甲酯 (CAS 106-79-6), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dimethyl decanedioate.
Chemical Property Profile of 癸二酸二甲酯
Property Insights of 癸二酸二甲酯
The XLogP value of 3.0 indicates that 癸二酸二甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 癸二酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 癸二酸二甲酯 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 癸二酸二甲酯?
The CAS number of 癸二酸二甲酯 is 106-79-6.
What is the molecular formula of 癸二酸二甲酯?
The molecular formula of 癸二酸二甲酯 is C12H22O4.
What is the molecular weight of 癸二酸二甲酯?
The molecular weight of 癸二酸二甲酯 is 230.15 g/mol.
Where can I buy 癸二酸二甲酯?
You can request a quote for 癸二酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 癸二酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 癸二酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.