十八碳-9,12,15-三烯-6-炔酸
TL;DR: 十八碳-9,12,15-三烯-6-炔酸 (CAS 53766-42-0) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十八碳-9,12,15-三烯-6-炔酸
octadeca-9,12,15-trien-6-ynoic acid
Also Known As: Dicranin, 9,12,15-Octadecatrien-6-ynoic acid, 9,12,15-Octadecatrien-6-ynoicacid, OCTADECA-9,12,15-TRIEN-6-YNOIC ACID, 9,12,15-Octadecatrien-6-ynoic acid, (Z,Z,Z)-
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 53766-42-0 |
|---|---|
| SMILES | CCC=CCC=CCC=CCC#CCCCCC(=O)O |
| InChIKey | UXMMIMGEKFYPFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十八碳-9,12,15-三烯-6-炔酸 (CAS 53766-42-0), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: octadeca-9,12,15-trien-6-ynoic acid.
Chemical Property Profile of 十八碳-9,12,15-三烯-6-炔酸
Property Insights of 十八碳-9,12,15-三烯-6-炔酸
The XLogP value of 5.0 indicates that 十八碳-9,12,15-三烯-6-炔酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 十八碳-9,12,15-三烯-6-炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十八碳-9,12,15-三烯-6-炔酸 has 1 hydrogen bond donor(s) and 2 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 十八碳-9,12,15-三烯-6-炔酸?
The CAS number of 十八碳-9,12,15-三烯-6-炔酸 is 53766-42-0.
What is the molecular formula of 十八碳-9,12,15-三烯-6-炔酸?
The molecular formula of 十八碳-9,12,15-三烯-6-炔酸 is C18H26O2.
What is the molecular weight of 十八碳-9,12,15-三烯-6-炔酸?
The molecular weight of 十八碳-9,12,15-三烯-6-炔酸 is 274.19 g/mol.
Where can I buy 十八碳-9,12,15-三烯-6-炔酸?
You can request a quote for 十八碳-9,12,15-三烯-6-炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十八碳-9,12,15-三烯-6-炔酸?
Yes, KEHONG BIO provides custom synthesis services for 十八碳-9,12,15-三烯-6-炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.