Hexadecyl hydrogen phthalate
TL;DR: Hexadecyl hydrogen phthalate (CAS 51834-16-3) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecoxycarbonylbenzoic acid
Also Known As: Hexadecyl hydrogen phthalate, 2-hexadecoxycarbonylbenzoic acid, 2-[(hexadecyloxy)carbonyl]benzoic acid, Phthalic acid 1-hexadecyl ester, 2-((Hexadecyloxy)carbonyl)benzoic acid
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 51834-16-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | VCLGPSQEYABDHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl hydrogen phthalate (CAS 51834-16-3), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: 2-hexadecoxycarbonylbenzoic acid.
Chemical Property Profile of Hexadecyl hydrogen phthalate
Property Insights of Hexadecyl hydrogen phthalate
The XLogP value of 9.6 indicates that Hexadecyl 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 Hexadecyl hydrogen phthalate. Following Lipinski's Rule of Five, Hexadecyl 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 Hexadecyl hydrogen phthalate?
The CAS number of Hexadecyl hydrogen phthalate is 51834-16-3.
What is the molecular formula of Hexadecyl hydrogen phthalate?
The molecular formula of Hexadecyl hydrogen phthalate is C24H38O4.
What is the molecular weight of Hexadecyl hydrogen phthalate?
The molecular weight of Hexadecyl hydrogen phthalate is 390.28 g/mol.
Where can I buy Hexadecyl hydrogen phthalate?
You can request a quote for Hexadecyl hydrogen phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl hydrogen phthalate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl hydrogen phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.