5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione (CAS 6917-54-0) is a chemical compound with molecular formula C48H72O3 and molecular weight 696.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione, 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)cyclohexa-2,5-diene-1,4-dione, 2-methoxy-6-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C48H72O3 |
|---|---|
| Molecular Weight | 696.55 g/mol |
| LogP | 15.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 24 |
| Exact Mass | 696.54816 |
| Heavy Atoms | 51 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 6917-54-0 |
|---|---|
| SMILES | CC1=C(C(=O)C(=CC1=O)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
| InChIKey | FLYBTLROCQBHMR-UHFFFAOYSA-N |
Product Overview
5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione (CAS 6917-54-0), with molecular formula C48H72O3 and molecular weight 696.55 g/mol. IUPAC: 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 15.5 indicates that CTK5C9183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK5C9183 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5C9183?
The CAS number of CTK5C9183 is 6917-54-0.
What is the molecular formula of CTK5C9183?
The molecular formula of CTK5C9183 is C48H72O3.
What is the molecular weight of CTK5C9183?
The molecular weight of CTK5C9183 is 696.55 g/mol.
Where can I buy CTK5C9183?
You can request a quote for CTK5C9183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5C9183?
Yes, KEHONG BIO provides custom synthesis services for CTK5C9183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.