1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one
TL;DR: 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one (CAS 4706-78-9) is a chemical compound with molecular formula C20H28O7 and molecular weight 380.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,16,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Also Known As: Chaparrin, KST-1B4415, 1,2,11,12-tetrahydroxy-11,20-epoxypicras-3-en-16-one, (1S,4R,5R,6R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-Tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
| Molecular Formula | C20H28O7 |
|---|---|
| Molecular Weight | 380.18 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 380.1835 |
| Heavy Atoms | 27 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 4706-78-9 |
|---|---|
| SMILES | CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O |
| InChIKey | SYRCAVSNPCUQCQ-UHFFFAOYSA-N |
Product Overview
1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one (CAS 4706-78-9), with molecular formula C20H28O7 and molecular weight 380.18 g/mol. IUPAC: 4,5,16,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one.
Chemical Property Profile of 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one
Property Insights of 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one
The XLogP value of -0.7 indicates that 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one. Following Lipinski's Rule of Five, 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one has 4 hydrogen bond donor(s) and 7 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 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one?
The CAS number of 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one is 4706-78-9.
What is the molecular formula of 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one?
The molecular formula of 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one is C20H28O7.
What is the molecular weight of 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one?
The molecular weight of 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one is 380.18 g/mol.
Where can I buy 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one?
You can request a quote for 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,11,12-Tetrahydroxy-11,20-epoxypicras-3-en-16-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.