西门木炔酸
TL;DR: 西门木炔酸 (CAS 557-58-4) is a chemical compound with molecular formula C18H30O2 and molecular weight 278.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西门木炔酸
octadec-11-en-9-ynoic acid
Also Known As: Ximenynic acid, Santalbic acid, Ximeninic acid, octadec-11-en-9-ynoic acid, 11-octadecen-9-ynoic acid
| Molecular Formula | C18H30O2 |
|---|---|
| Molecular Weight | 278.22 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 278.22458 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 557-58-4 |
|---|---|
| SMILES | CCCCCCC=CC#CCCCCCCCC(=O)O |
| InChIKey | VENIIVIRETXKSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西门木炔酸 (CAS 557-58-4), with molecular formula C18H30O2 and molecular weight 278.22 g/mol. IUPAC: octadec-11-en-9-ynoic acid.
Chemical Property Profile of 西门木炔酸
Property Insights of 西门木炔酸
The XLogP value of 6.6 indicates that 西门木炔酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 西门木炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 西门木炔酸 has 1 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 西门木炔酸?
The CAS number of 西门木炔酸 is 557-58-4.
What is the molecular formula of 西门木炔酸?
The molecular formula of 西门木炔酸 is C18H30O2.
What is the molecular weight of 西门木炔酸?
The molecular weight of 西门木炔酸 is 278.22 g/mol.
Where can I buy 西门木炔酸?
You can request a quote for 西门木炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西门木炔酸?
Yes, KEHONG BIO provides custom synthesis services for 西门木炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.