12-氧代十二碳二烯酸
TL;DR: 12-氧代十二碳二烯酸 (CAS 111937-68-9) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-氧代十二碳二烯酸
12-oxododeca-2,4-dienoic acid
Also Known As: 12-Oxododecadienoic acid, 11-formyl undecadienoic acid, Dodecadienoic acid, 12-oxo-, (2E,4E)-12-oxododeca-2,4-dienoic Acid
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 111937-68-9 |
|---|---|
| SMILES | C(CCCC=O)CCC=CC=CC(=O)O |
| InChIKey | GHEIVIBUNYJAMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-氧代十二碳二烯酸 (CAS 111937-68-9), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 12-oxododeca-2,4-dienoic acid.
Chemical Property Profile of 12-氧代十二碳二烯酸
Property Insights of 12-氧代十二碳二烯酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-氧代十二碳二烯酸. With a topological polar surface area (TPSA) of 54.4 Ų, 12-氧代十二碳二烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-氧代十二碳二烯酸 has 1 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-氧代十二碳二烯酸?
The CAS number of 12-氧代十二碳二烯酸 is 111937-68-9.
What is the molecular formula of 12-氧代十二碳二烯酸?
The molecular formula of 12-氧代十二碳二烯酸 is C12H18O3.
What is the molecular weight of 12-氧代十二碳二烯酸?
The molecular weight of 12-氧代十二碳二烯酸 is 210.13 g/mol.
Where can I buy 12-氧代十二碳二烯酸?
You can request a quote for 12-氧代十二碳二烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-氧代十二碳二烯酸?
Yes, KEHONG BIO provides custom synthesis services for 12-氧代十二碳二烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.