Undecyl hydrogen phthalate
TL;DR: Undecyl hydrogen phthalate (CAS 51622-03-8) is a chemical compound with molecular formula C19H28O4 and molecular weight 320.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-undecoxycarbonylbenzoic acid
Also Known As: Undecyl hydrogen phthalate, Monoundecyl Phthalate, 2-undecoxycarbonylbenzoic acid, undecylhydrogenphthalate, 2-((Undecyloxy)carbonyl)benzoic acid
| Molecular Formula | C19H28O4 |
|---|---|
| Molecular Weight | 320.20 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 320.19876 |
| Heavy Atoms | 23 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 51622-03-8 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | CAZKHBNCZSWFFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Undecyl hydrogen phthalate (CAS 51622-03-8), with molecular formula C19H28O4 and molecular weight 320.20 g/mol. IUPAC: 2-undecoxycarbonylbenzoic acid.
Chemical Property Profile of Undecyl hydrogen phthalate
Property Insights of Undecyl hydrogen phthalate
The XLogP value of 6.9 indicates that Undecyl hydrogen phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Undecyl hydrogen phthalate. Following Lipinski's Rule of Five, Undecyl hydrogen phthalate has 1 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 Undecyl hydrogen phthalate?
The CAS number of Undecyl hydrogen phthalate is 51622-03-8.
What is the molecular formula of Undecyl hydrogen phthalate?
The molecular formula of Undecyl hydrogen phthalate is C19H28O4.
What is the molecular weight of Undecyl hydrogen phthalate?
The molecular weight of Undecyl hydrogen phthalate is 320.20 g/mol.
Where can I buy Undecyl hydrogen phthalate?
You can request a quote for Undecyl hydrogen phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecyl hydrogen phthalate?
Yes, KEHONG BIO provides custom synthesis services for Undecyl hydrogen phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.