2-氯-4-(1-羟基十八烷基)苯甲酸
TL;DR: 2-氯-4-(1-羟基十八烷基)苯甲酸 (CAS 111149-90-7) is a chemical compound with molecular formula C25H41ClO3 and molecular weight 424.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-4-(1-羟基十八烷基)苯甲酸
2-chloro-4-(1-hydroxyoctadecyl)benzoic acid
Also Known As: LODELABEN, Declaben, Lodelabenum, Lodelaben [USAN:INN], Lodelabenum [INN-Latin]
| Molecular Formula | C25H41ClO3 |
|---|---|
| Molecular Weight | 424.27 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 424.2744 |
| Heavy Atoms | 29 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 111149-90-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)C(=O)O)Cl)O |
| InChIKey | SYCYJNHKNPPDAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-4-(1-羟基十八烷基)苯甲酸 (CAS 111149-90-7), with molecular formula C25H41ClO3 and molecular weight 424.27 g/mol. IUPAC: 2-chloro-4-(1-hydroxyoctadecyl)benzoic acid.
Chemical Property Profile of 2-氯-4-(1-羟基十八烷基)苯甲酸
Property Insights of 2-氯-4-(1-羟基十八烷基)苯甲酸
The XLogP value of 10.1 indicates that 2-氯-4-(1-羟基十八烷基)苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-氯-4-(1-羟基十八烷基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-4-(1-羟基十八烷基)苯甲酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-氯-4-(1-羟基十八烷基)苯甲酸?
The CAS number of 2-氯-4-(1-羟基十八烷基)苯甲酸 is 111149-90-7.
What is the molecular formula of 2-氯-4-(1-羟基十八烷基)苯甲酸?
The molecular formula of 2-氯-4-(1-羟基十八烷基)苯甲酸 is C25H41ClO3.
What is the molecular weight of 2-氯-4-(1-羟基十八烷基)苯甲酸?
The molecular weight of 2-氯-4-(1-羟基十八烷基)苯甲酸 is 424.27 g/mol.
Where can I buy 2-氯-4-(1-羟基十八烷基)苯甲酸?
You can request a quote for 2-氯-4-(1-羟基十八烷基)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-氯-4-(1-羟基十八烷基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-4-(1-羟基十八烷基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.