十二烷二酸二甲酯
TL;DR: 十二烷二酸二甲酯 (CAS 1731-79-9) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十二烷二酸二甲酯
dimethyl dodecanedioate
Also Known As: Dimethyl dodecanedioate, Dimethyl 1,10-decanedicarboxylate, DimethylDodecanedioate, Dodecanedioic acid dimethyl ester, 1,12-Dimethyl dodecanedioate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 1731-79-9 |
|---|---|
| SMILES | COC(=O)CCCCCCCCCCC(=O)OC |
| InChIKey | IZMOTZDBVPMOFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十二烷二酸二甲酯 (CAS 1731-79-9), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: dimethyl dodecanedioate.
Chemical Property Profile of 十二烷二酸二甲酯
Property Insights of 十二烷二酸二甲酯
The XLogP value of 4.1 indicates that 十二烷二酸二甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 十二烷二酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十二烷二酸二甲酯 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 十二烷二酸二甲酯?
The CAS number of 十二烷二酸二甲酯 is 1731-79-9.
What is the molecular formula of 十二烷二酸二甲酯?
The molecular formula of 十二烷二酸二甲酯 is C14H26O4.
What is the molecular weight of 十二烷二酸二甲酯?
The molecular weight of 十二烷二酸二甲酯 is 258.18 g/mol.
Where can I buy 十二烷二酸二甲酯?
You can request a quote for 十二烷二酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十二烷二酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 十二烷二酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.