7'-Dehydrozearalenone
TL;DR: 7'-Dehydrozearalenone (CAS 40785-63-5) is a chemical compound with molecular formula C18H20O5 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,6Z,12Z)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
Also Known As: 7'-Dehydrozearalenone, (2Z,8Z,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione, 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,9,10-tetrahydro-14,16-dihydroxy-3-methyl-, (3S,5E,11E)-
| Molecular Formula | C18H20O5 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.3556 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.13107 |
| Heavy Atoms | 23 |
| Complexity | 657.621 |
Chemical Identifiers
| CAS Number | 40785-63-5 |
|---|---|
| SMILES | C[C@H]1C/C=C\C(=O)CCC/C=C\C2=C(C(=CC(=C2)O)O)C(=O)O1 |
Product Overview
7'-Dehydrozearalenone (CAS 40785-63-5), with molecular formula C18H20O5 and molecular weight 316.13 g/mol. IUPAC: (4S,6Z,12Z)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.
Chemical Property Profile of 7'-Dehydrozearalenone
Property Insights of 7'-Dehydrozearalenone
The XLogP value of 3.3556 indicates that 7'-Dehydrozearalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 7'-Dehydrozearalenone. Following Lipinski's Rule of Five, 7'-Dehydrozearalenone has 2 hydrogen bond donor(s) and 5 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 7'-Dehydrozearalenone?
The CAS number of 7'-Dehydrozearalenone is 40785-63-5.
What is the molecular formula of 7'-Dehydrozearalenone?
The molecular formula of 7'-Dehydrozearalenone is C18H20O5.
What is the molecular weight of 7'-Dehydrozearalenone?
The molecular weight of 7'-Dehydrozearalenone is 316.13 g/mol.
Where can I buy 7'-Dehydrozearalenone?
You can request a quote for 7'-Dehydrozearalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7'-Dehydrozearalenone?
Yes, KEHONG BIO provides custom synthesis services for 7'-Dehydrozearalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.