Diplacol
TL;DR: Diplacol (CAS 76556-05-3) is a chemical compound with molecular formula C25H28O7 and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Also Known As: diplacol, HY-N12494, J3.498.537E, (2R)-2alpha-(3,4-Dihydroxyphenyl)-6-[(E)-3,7-dimethyl-2,6-octadienyl]-2,3-dihydro-3beta,5,7-trihydroxy-4H-1-benzopyran-4-one, (2R,3R)-2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dien-1-yl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
| Molecular Formula | C25H28O7 |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1835 |
| Heavy Atoms | 32 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 76556-05-3 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC(=C(C=C3)O)O)O)/C)C |
| InChIKey | UESFDRVOHWXYIQ-PRANAVDNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diplacol (CAS 76556-05-3), with molecular formula C25H28O7 and molecular weight 440.18 g/mol. IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Diplacol
Property Insights of Diplacol
The XLogP value of 5.3 indicates that Diplacol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diplacol. Following Lipinski's Rule of Five, Diplacol has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diplacol?
The CAS number of Diplacol is 76556-05-3.
What is the molecular formula of Diplacol?
The molecular formula of Diplacol is C25H28O7.
What is the molecular weight of Diplacol?
The molecular weight of Diplacol is 440.18 g/mol.
Where can I buy Diplacol?
You can request a quote for Diplacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diplacol?
Yes, KEHONG BIO provides custom synthesis services for Diplacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.