十二烷二酸二丁酯
TL;DR: 十二烷二酸二丁酯 (CAS 15677-90-4) is a chemical compound with molecular formula C20H38O4 and molecular weight 342.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十二烷二酸二丁酯
dibutyl dodecanedioate
Also Known As: Dibutyl dodecanedioate, dibutyldodecanedioate, bisbutyl dodecandioate, Dodecanedioic acid dibutyl ester, 1,12-DIBUTYL DODECANEDIOATE
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 15677-90-4 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCCCCCCC(=O)OCCCC |
| InChIKey | PYWJUJAIGZXCMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十二烷二酸二丁酯 (CAS 15677-90-4), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: dibutyl dodecanedioate.
Chemical Property Profile of 十二烷二酸二丁酯
Property Insights of 十二烷二酸二丁酯
The XLogP value of 6.3 indicates that 十二烷二酸二丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 十二烷二酸二丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十二烷二酸二丁酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 十二烷二酸二丁酯?
The CAS number of 十二烷二酸二丁酯 is 15677-90-4.
What is the molecular formula of 十二烷二酸二丁酯?
The molecular formula of 十二烷二酸二丁酯 is C20H38O4.
What is the molecular weight of 十二烷二酸二丁酯?
The molecular weight of 十二烷二酸二丁酯 is 342.28 g/mol.
Where can I buy 十二烷二酸二丁酯?
You can request a quote for 十二烷二酸二丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十二烷二酸二丁酯?
Yes, KEHONG BIO provides custom synthesis services for 十二烷二酸二丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.