18,20-Epoxypregnane-3,12,14-triol
TL;DR: 18,20-Epoxypregnane-3,12,14-triol (CAS 10111-82-7) is a chemical compound with molecular formula C21H34O4 and molecular weight 350.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,5S,10R,12S,13S,16S,18S)-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-2,10,16-triol
Also Known As: Tetrahydrostapelogenin, KST-1A0498, 18,20-Epoxypregnane-3,12,14-triol, (3, A,5
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 10111-82-7 |
|---|---|
| SMILES | CC1[C@H]2CC[C@]3(C2(CO1)[C@@H](C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)O)O |
| InChIKey | VNFUGEDPCRFGKE-XAOOPBPBSA-N |
Product Overview
18,20-Epoxypregnane-3,12,14-triol (CAS 10111-82-7), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: (1R,2S,5S,10R,12S,13S,16S,18S)-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-2,10,16-triol.
Chemical Property Profile of 18,20-Epoxypregnane-3,12,14-triol
Property Insights of 18,20-Epoxypregnane-3,12,14-triol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18,20-Epoxypregnane-3,12,14-triol. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 18,20-Epoxypregnane-3,12,14-triol. Following Lipinski's Rule of Five, 18,20-Epoxypregnane-3,12,14-triol has 3 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 18,20-Epoxypregnane-3,12,14-triol?
The CAS number of 18,20-Epoxypregnane-3,12,14-triol is 10111-82-7.
What is the molecular formula of 18,20-Epoxypregnane-3,12,14-triol?
The molecular formula of 18,20-Epoxypregnane-3,12,14-triol is C21H34O4.
What is the molecular weight of 18,20-Epoxypregnane-3,12,14-triol?
The molecular weight of 18,20-Epoxypregnane-3,12,14-triol is 350.25 g/mol.
Where can I buy 18,20-Epoxypregnane-3,12,14-triol?
You can request a quote for 18,20-Epoxypregnane-3,12,14-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18,20-Epoxypregnane-3,12,14-triol?
Yes, KEHONG BIO provides custom synthesis services for 18,20-Epoxypregnane-3,12,14-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.