3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide
TL;DR: 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide (CAS 6875-16-7) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5S,7S,10S,14R,15R,18R)-7,18-dihydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one
Also Known As: Tanghinigenin, 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide, 7-beta,8-Epoxy-3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, (8xi,9xi)-3beta,14-Dihydroxy-5beta,7beta-7,8-epoxycard-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 7-beta,8-EPOXY-3-beta,14-DIHYDROXY-
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 6875-16-7 |
|---|---|
| SMILES | C[C@]12CCC3[C@]4(CC[C@@H](C[C@H]4C[C@H]5C3([C@]1(CC[C@@H]2C6=CC(=O)OC6)O)O5)O)C |
| InChIKey | XHBYSYUHABSUKR-CNTUUBOLSA-N |
Product Overview
3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide (CAS 6875-16-7), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: 3-[(3S,5S,7S,10S,14R,15R,18R)-7,18-dihydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one.
Chemical Property Profile of 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide
Property Insights of 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide 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 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide?
The CAS number of 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide is 6875-16-7.
What is the molecular formula of 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide?
The molecular formula of 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide is C23H32O5.
What is the molecular weight of 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide?
The molecular weight of 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide is 388.22 g/mol.
Where can I buy 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide?
You can request a quote for 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3,14-Dihydroxy-7,8-epoxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.