9,12,13-三羟基十八碳-10-烯酸
TL;DR: 9,12,13-三羟基十八碳-10-烯酸 (CAS 102735-59-1) is a chemical compound with molecular formula C18H34O5 and molecular weight 330.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,12,13-三羟基十八碳-10-烯酸
9,12,13-trihydroxyoctadec-10-enoic acid
Also Known As: Pinellic acid, 9,12,13-Todea, 9,12,13-Trihydroxyoctadec-10-enoic acid, 9,12,13-Trihydroxy-10-octadecenoic acid, 9,12,13-TriHOME(10)
| Molecular Formula | C18H34O5 |
|---|---|
| Molecular Weight | 330.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 330.24063 |
| Heavy Atoms | 23 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 102735-59-1 |
|---|---|
| SMILES | CCCCCC(C(C=CC(CCCCCCCC(=O)O)O)O)O |
| InChIKey | MDIUMSLCYIJBQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,12,13-三羟基十八碳-10-烯酸 (CAS 102735-59-1), with molecular formula C18H34O5 and molecular weight 330.24 g/mol. IUPAC: 9,12,13-trihydroxyoctadec-10-enoic acid.
Chemical Property Profile of 9,12,13-三羟基十八碳-10-烯酸
Property Insights of 9,12,13-三羟基十八碳-10-烯酸
The XLogP value of 3.1 indicates that 9,12,13-三羟基十八碳-10-烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,12,13-三羟基十八碳-10-烯酸. Following Lipinski's Rule of Five, 9,12,13-三羟基十八碳-10-烯酸 has 4 hydrogen bond donor(s) and 5 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 9,12,13-三羟基十八碳-10-烯酸?
The CAS number of 9,12,13-三羟基十八碳-10-烯酸 is 102735-59-1.
What is the molecular formula of 9,12,13-三羟基十八碳-10-烯酸?
The molecular formula of 9,12,13-三羟基十八碳-10-烯酸 is C18H34O5.
What is the molecular weight of 9,12,13-三羟基十八碳-10-烯酸?
The molecular weight of 9,12,13-三羟基十八碳-10-烯酸 is 330.24 g/mol.
Where can I buy 9,12,13-三羟基十八碳-10-烯酸?
You can request a quote for 9,12,13-三羟基十八碳-10-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,12,13-三羟基十八碳-10-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 9,12,13-三羟基十八碳-10-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.