12-羟基十七碳三烯酸
TL;DR: 12-羟基十七碳三烯酸 (CAS 54397-84-1) is a chemical compound with molecular formula C17H28O3 and molecular weight 280.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-羟基十七碳三烯酸
12-hydroxyheptadeca-5,8,10-trienoic acid
Also Known As: 12-Hht, Hydroxyheptadecatrienoic acid, 12S-HHT, 12(S)-HHT, 12-hydroxyheptadeca-5,8,10-trienoic acid
| Molecular Formula | C17H28O3 |
|---|---|
| Molecular Weight | 280.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.20386 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 54397-84-1 |
|---|---|
| SMILES | CCCCCC(C=CC=CCC=CCCCC(=O)O)O |
| InChIKey | KUKJHGXXZWHSBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-羟基十七碳三烯酸 (CAS 54397-84-1), with molecular formula C17H28O3 and molecular weight 280.20 g/mol. IUPAC: 12-hydroxyheptadeca-5,8,10-trienoic acid.
Chemical Property Profile of 12-羟基十七碳三烯酸
Property Insights of 12-羟基十七碳三烯酸
The XLogP value of 4.1 indicates that 12-羟基十七碳三烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 12-羟基十七碳三烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-羟基十七碳三烯酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-羟基十七碳三烯酸?
The CAS number of 12-羟基十七碳三烯酸 is 54397-84-1.
What is the molecular formula of 12-羟基十七碳三烯酸?
The molecular formula of 12-羟基十七碳三烯酸 is C17H28O3.
What is the molecular weight of 12-羟基十七碳三烯酸?
The molecular weight of 12-羟基十七碳三烯酸 is 280.20 g/mol.
Where can I buy 12-羟基十七碳三烯酸?
You can request a quote for 12-羟基十七碳三烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-羟基十七碳三烯酸?
Yes, KEHONG BIO provides custom synthesis services for 12-羟基十七碳三烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.