5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate
TL;DR: 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate (CAS 4394-97-2) is a chemical compound with molecular formula C22H34O7 and molecular weight 410.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetate
Also Known As: Rhodojaponin V, Rhodojaponin-V, Rhodojaponin V [M+H]+, HY-N2154, 5,6,10,16-tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate
| Molecular Formula | C22H34O7 |
|---|---|
| Molecular Weight | 410.23 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.23044 |
| Heavy Atoms | 29 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 4394-97-2 |
|---|---|
| SMILES | CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)C5C(C4(C)C)O5)O)O)CC2(C)O |
| InChIKey | OHDPFRGZBUACTR-UHFFFAOYSA-N |
Product Overview
5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate (CAS 4394-97-2), with molecular formula C22H34O7 and molecular weight 410.23 g/mol. IUPAC: (3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl) acetate.
Chemical Property Profile of 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate
Property Insights of 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate. Following Lipinski's Rule of Five, 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate 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 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate?
The CAS number of 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate is 4394-97-2.
What is the molecular formula of 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate?
The molecular formula of 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate is C22H34O7.
What is the molecular weight of 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate?
The molecular weight of 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate is 410.23 g/mol.
Where can I buy 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate?
You can request a quote for 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5,6,10,16-Tetrahydroxy-2,3-epoxygrayanotoxan-14-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.