Dimethylcrocetin
TL;DR: Dimethylcrocetin (CAS 5892-54-6) is a chemical compound with molecular formula C22H28O4 and molecular weight 356.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Also Known As: Dimethylcrocetin, Crocetine dimethyl ester, Crocetin dimethyl ester, gamma-Crocetin, trans-Crocetin, dimethyl ester
| Molecular Formula | C22H28O4 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 4.7862 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.19876 |
| Heavy Atoms | 26 |
| Complexity | 635.6539 |
Chemical Identifiers
| CAS Number | 5892-54-6 |
|---|---|
| SMILES | C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)OC)/C)/C)/C=C/C=C(/C(=O)OC)\C |
Product Overview
Dimethylcrocetin (CAS 5892-54-6), with molecular formula C22H28O4 and molecular weight 356.20 g/mol. IUPAC: dimethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate.
Chemical Property Profile of Dimethylcrocetin
Property Insights of Dimethylcrocetin
The XLogP value of 4.7862 indicates that Dimethylcrocetin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethylcrocetin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylcrocetin has 0 hydrogen bond donor(s) and 4 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 Dimethylcrocetin?
The CAS number of Dimethylcrocetin is 5892-54-6.
What is the molecular formula of Dimethylcrocetin?
The molecular formula of Dimethylcrocetin is C22H28O4.
What is the molecular weight of Dimethylcrocetin?
The molecular weight of Dimethylcrocetin is 356.20 g/mol.
Where can I buy Dimethylcrocetin?
You can request a quote for Dimethylcrocetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylcrocetin?
Yes, KEHONG BIO provides custom synthesis services for Dimethylcrocetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.