十二烷二酸1,12-二(十六烷基)酯
TL;DR: 十二烷二酸1,12-二(十六烷基)酯 (CAS 42234-04-8) is a chemical compound with molecular formula C44H86O4 and molecular weight 678.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十二烷二酸1,12-二(十六烷基)酯
dihexadecyl dodecanedioate
Also Known As: Dihexadecyl dodecanedioate, Dicetyl dodecanedioate, Dodecanedioic acid, dihexadecyl ester, Dodecanedioic acid, 1,12-dihexadecyl ester, Dodecanedioic acid dihexadecyl ester
| Molecular Formula | C44H86O4 |
|---|---|
| Molecular Weight | 678.65 g/mol |
| LogP | 19.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 43 |
| Exact Mass | 678.6526 |
| Heavy Atoms | 48 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 42234-04-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC |
| InChIKey | RCNQFTSPHJETIT-UHFFFAOYSA-N |
Product Overview
十二烷二酸1,12-二(十六烷基)酯 (CAS 42234-04-8), with molecular formula C44H86O4 and molecular weight 678.65 g/mol. IUPAC: dihexadecyl dodecanedioate.
Chemical Property Profile of 十二烷二酸1,12-二(十六烷基)酯
Property Insights of 十二烷二酸1,12-二(十六烷基)酯
The XLogP value of 19.3 indicates that 十二烷二酸1,12-二(十六烷基)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1,12-二(十六烷基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十二烷二酸1,12-二(十六烷基)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1,12-二(十六烷基)酯?
The CAS number of 十二烷二酸1,12-二(十六烷基)酯 is 42234-04-8.
What is the molecular formula of 十二烷二酸1,12-二(十六烷基)酯?
The molecular formula of 十二烷二酸1,12-二(十六烷基)酯 is C44H86O4.
What is the molecular weight of 十二烷二酸1,12-二(十六烷基)酯?
The molecular weight of 十二烷二酸1,12-二(十六烷基)酯 is 678.65 g/mol.
Where can I buy 十二烷二酸1,12-二(十六烷基)酯?
You can request a quote for 十二烷二酸1,12-二(十六烷基)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1,12-二(十六烷基)酯?
Yes, KEHONG BIO provides custom synthesis services for 十二烷二酸1,12-二(十六烷基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.