4-Dodecyloxycarbonylphthalic anhydride
TL;DR: 4-Dodecyloxycarbonylphthalic anhydride (CAS 22485-51-4) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 1,3-dioxo-2-benzofuran-5-carboxylate
Also Known As: 4-dodecyloxycarbonylphthalic anhydride, dodecyl 1,3-dioxo-2-benzofuran-5-carboxylate, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, dodecyl ester, Dodecyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate, 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, dodecyl ester
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 22485-51-4 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O |
| InChIKey | XYYCSQGLMVDENW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Dodecyloxycarbonylphthalic anhydride (CAS 22485-51-4), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: dodecyl 1,3-dioxo-2-benzofuran-5-carboxylate.
Chemical Property Profile of 4-Dodecyloxycarbonylphthalic anhydride
Property Insights of 4-Dodecyloxycarbonylphthalic anhydride
The XLogP value of 6.7 indicates that 4-Dodecyloxycarbonylphthalic anhydride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Dodecyloxycarbonylphthalic anhydride. Following Lipinski's Rule of Five, 4-Dodecyloxycarbonylphthalic anhydride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Dodecyloxycarbonylphthalic anhydride?
The CAS number of 4-Dodecyloxycarbonylphthalic anhydride is 22485-51-4.
What is the molecular formula of 4-Dodecyloxycarbonylphthalic anhydride?
The molecular formula of 4-Dodecyloxycarbonylphthalic anhydride is C21H28O5.
What is the molecular weight of 4-Dodecyloxycarbonylphthalic anhydride?
The molecular weight of 4-Dodecyloxycarbonylphthalic anhydride is 360.19 g/mol.
Where can I buy 4-Dodecyloxycarbonylphthalic anhydride?
You can request a quote for 4-Dodecyloxycarbonylphthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dodecyloxycarbonylphthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 4-Dodecyloxycarbonylphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.