环羧丙基油酸
TL;DR: 环羧丙基油酸 (CAS 53980-88-4) is a chemical compound with molecular formula C21H36O4 and molecular weight 352.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环羧丙基油酸
5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid
Also Known As: C21-Dicarboxylic acid, Cyclocarboxypropyloleic acid, ACRYLINOLEIC ACID, DIACID C21, WESTVACO 1550
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 53980-88-4 |
|---|---|
| SMILES | CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O |
| InChIKey | RYKIXDBAIYMFDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环羧丙基油酸 (CAS 53980-88-4), with molecular formula C21H36O4 and molecular weight 352.26 g/mol. IUPAC: 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 环羧丙基油酸
Property Insights of 环羧丙基油酸
The XLogP value of 6.7 indicates that 环羧丙基油酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 环羧丙基油酸. Following Lipinski's Rule of Five, 环羧丙基油酸 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 环羧丙基油酸?
The CAS number of 环羧丙基油酸 is 53980-88-4.
What is the molecular formula of 环羧丙基油酸?
The molecular formula of 环羧丙基油酸 is C21H36O4.
What is the molecular weight of 环羧丙基油酸?
The molecular weight of 环羧丙基油酸 is 352.26 g/mol.
Where can I buy 环羧丙基油酸?
You can request a quote for 环羧丙基油酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环羧丙基油酸?
Yes, KEHONG BIO provides custom synthesis services for 环羧丙基油酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.