EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN
TL;DR: EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN (CAS 59898-39-4) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradec-10-ene-4,12-dione
Also Known As: EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN, 3,5a,8a-trimethyl-3a,5,5a,9b-tetrahydro-4h-oxireno[8,8a]naphtho[1,2-b]furan-2,8(3h,8ah)-dione
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 59898-39-4 |
|---|---|
| SMILES | CC1C2CCC3(C=CC(=O)C4(C3(C2OC1=O)O4)C)C |
| InChIKey | GTDIWCITYRGAKM-UHFFFAOYSA-N |
Product Overview
EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN (CAS 59898-39-4), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: 5,9,13-trimethyl-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradec-10-ene-4,12-dione.
Chemical Property Profile of EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN
Property Insights of EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN. With a topological polar surface area (TPSA) of 55.9 Ų, EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN 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 EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN?
The CAS number of EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN is 59898-39-4.
What is the molecular formula of EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN?
The molecular formula of EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN is C15H18O4.
What is the molecular weight of EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN?
The molecular weight of EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN is 262.12 g/mol.
Where can I buy EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN?
You can request a quote for EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN?
Yes, KEHONG BIO provides custom synthesis services for EPOXY (4,5alpha)-4,5-DIHYDROSANTONIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.