E-3330
TL;DR: E-3330 (CAS 136164-66-4) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
Also Known As: E-3330, E 3330, (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 136164-66-4 |
|---|---|
| SMILES | CCCCCCCCCC(=CC1=C(C(=O)C(=C(C1=O)OC)OC)C)C(=O)O |
| InChIKey | AALSSIXXBDPENJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
E-3330 (CAS 136164-66-4), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: 2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid.
Chemical Property Profile of E-3330
Property Insights of E-3330
The XLogP value of 5.3 indicates that E-3330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for E-3330. Following Lipinski's Rule of Five, E-3330 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E-3330?
The CAS number of E-3330 is 136164-66-4.
What is the molecular formula of E-3330?
The molecular formula of E-3330 is C21H30O6.
What is the molecular weight of E-3330?
The molecular weight of E-3330 is 378.20 g/mol.
Where can I buy E-3330?
You can request a quote for E-3330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E-3330?
Yes, KEHONG BIO provides custom synthesis services for E-3330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.