十六酸;十八酸;邻苯二甲酸
TL;DR: 十六酸;十八酸;邻苯二甲酸 (CAS 68442-70-6) is a chemical compound with molecular formula C42H74O8 and molecular weight 706.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十六酸;十八酸;邻苯二甲酸
hexadecanoic acid;octadecanoic acid;phthalic acid
Also Known As: Phthalic acid, hexadecyl, octadecyl ester, Phthalic acid mixed cetyl and stearyl esters, palmitic acid; phthalic acid;stearic acid, Phthalic acid, mixed cetyl and stearyl esters, hexadecanoic acid; octadecanoic acid; phthalic acid
| Molecular Formula | C42H74O8 |
|---|---|
| Molecular Weight | 706.54 g/mol |
| LogP | 12.97 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 32 |
| Exact Mass | 706.5384 |
| Heavy Atoms | 50 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 68442-70-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| InChIKey | LIQNHLWRKRZUFV-UHFFFAOYSA-N |
Product Overview
十六酸;十八酸;邻苯二甲酸 (CAS 68442-70-6), with molecular formula C42H74O8 and molecular weight 706.54 g/mol. IUPAC: hexadecanoic acid;octadecanoic acid;phthalic acid.
Chemical Property Profile of 十六酸;十八酸;邻苯二甲酸
Property Insights of 十六酸;十八酸;邻苯二甲酸
The XLogP value of 12.97 indicates that 十六酸;十八酸;邻苯二甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 十六酸;十八酸;邻苯二甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 十六酸;十八酸;邻苯二甲酸 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 十六酸;十八酸;邻苯二甲酸?
The CAS number of 十六酸;十八酸;邻苯二甲酸 is 68442-70-6.
What is the molecular formula of 十六酸;十八酸;邻苯二甲酸?
The molecular formula of 十六酸;十八酸;邻苯二甲酸 is C42H74O8.
What is the molecular weight of 十六酸;十八酸;邻苯二甲酸?
The molecular weight of 十六酸;十八酸;邻苯二甲酸 is 706.54 g/mol.
Where can I buy 十六酸;十八酸;邻苯二甲酸?
You can request a quote for 十六酸;十八酸;邻苯二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十六酸;十八酸;邻苯二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 十六酸;十八酸;邻苯二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.