2-正十八烷基吲哚-5-甲酸
TL;DR: 2-正十八烷基吲哚-5-甲酸 (CAS 85923-84-8) is a chemical compound with molecular formula C27H43NO2 and molecular weight 413.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-正十八烷基吲哚-5-甲酸
2-octadecyl-1H-indole-5-carboxylic acid
Also Known As: 2-octadecyl-1H-indole-5-carboxylic acid, 1H-Indole-5-carboxylic acid, 2-octadecyl-, 2-n-Octadecylindole-5-carboxylic acid, 2-octadecyl-1H-indole-5-carboxylicacid, RefChem:88441
| Molecular Formula | C27H43NO2 |
|---|---|
| Molecular Weight | 413.33 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 413.32938 |
| Heavy Atoms | 30 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 85923-84-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCC1=CC2=C(N1)C=CC(=C2)C(=O)O |
| InChIKey | OMJDPZWMJSXLDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-正十八烷基吲哚-5-甲酸 (CAS 85923-84-8), with molecular formula C27H43NO2 and molecular weight 413.33 g/mol. IUPAC: 2-octadecyl-1H-indole-5-carboxylic acid.
Chemical Property Profile of 2-正十八烷基吲哚-5-甲酸
Property Insights of 2-正十八烷基吲哚-5-甲酸
The XLogP value of 10.9 indicates that 2-正十八烷基吲哚-5-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, 2-正十八烷基吲哚-5-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-正十八烷基吲哚-5-甲酸 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-正十八烷基吲哚-5-甲酸?
The CAS number of 2-正十八烷基吲哚-5-甲酸 is 85923-84-8.
What is the molecular formula of 2-正十八烷基吲哚-5-甲酸?
The molecular formula of 2-正十八烷基吲哚-5-甲酸 is C27H43NO2.
What is the molecular weight of 2-正十八烷基吲哚-5-甲酸?
The molecular weight of 2-正十八烷基吲哚-5-甲酸 is 413.33 g/mol.
Where can I buy 2-正十八烷基吲哚-5-甲酸?
You can request a quote for 2-正十八烷基吲哚-5-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-正十八烷基吲哚-5-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-正十八烷基吲哚-5-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.