2-十三烷氧基羰基苯甲酸
TL;DR: 2-十三烷氧基羰基苯甲酸 (CAS 21577-81-1) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-十三烷氧基羰基苯甲酸
2-tridecoxycarbonylbenzoic acid
Also Known As: Monotridecyl Phthalate, 2-tridecoxycarbonylbenzoic Acid, Phthalicacidhydrogen1-tridecylester, 2-[(tridecyloxy)carbonyl]benzoic acid, Phthalic acid hydrogen 1-tridecyl ester
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 21577-81-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | BKMAEERFCKIKJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-十三烷氧基羰基苯甲酸 (CAS 21577-81-1), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 2-tridecoxycarbonylbenzoic acid.
Chemical Property Profile of 2-十三烷氧基羰基苯甲酸
Property Insights of 2-十三烷氧基羰基苯甲酸
The XLogP value of 8.0 indicates that 2-十三烷氧基羰基苯甲酸 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 2-十三烷氧基羰基苯甲酸. Following Lipinski's Rule of Five, 2-十三烷氧基羰基苯甲酸 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 2-十三烷氧基羰基苯甲酸?
The CAS number of 2-十三烷氧基羰基苯甲酸 is 21577-81-1.
What is the molecular formula of 2-十三烷氧基羰基苯甲酸?
The molecular formula of 2-十三烷氧基羰基苯甲酸 is C21H32O4.
What is the molecular weight of 2-十三烷氧基羰基苯甲酸?
The molecular weight of 2-十三烷氧基羰基苯甲酸 is 348.23 g/mol.
Where can I buy 2-十三烷氧基羰基苯甲酸?
You can request a quote for 2-十三烷氧基羰基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-十三烷氧基羰基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-十三烷氧基羰基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.