3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate
TL;DR: 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate (CAS 84849-10-5) is a chemical compound with molecular formula C25H42O7 and molecular weight 454.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,6S,8S,9R,10R,13S,14R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] pentanoate
Also Known As: 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate, 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a,12(1H)-hexol, dodecahydro-1,1,4,8-tetramethyl-, 12-valerate, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-, Grayanotoxane-3,5,6,10,14,16-hexol, 14-pentanoate, (3-beta,6-beta,14R)-, 3beta,5,6beta,10,16-Pentahydroxy-13beta-grayanotoxan-14-yl pentanoate, RefChem:1074289
| Molecular Formula | C25H42O7 |
|---|---|
| Molecular Weight | 454.29 g/mol |
| LogP | 1.9094 |
| Topological Polar Surface Area | 127.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.29306 |
| Heavy Atoms | 32 |
| Complexity | 761.3894 |
Chemical Identifiers
| CAS Number | 84849-10-5 |
|---|---|
| SMILES | CCCCC(=O)OC1[C@@H]2CC[C@@H]3C1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O |
Product Overview
3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate (CAS 84849-10-5), with molecular formula C25H42O7 and molecular weight 454.29 g/mol. IUPAC: [(3R,4R,6S,8S,9R,10R,13S,14R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] pentanoate.
Chemical Property Profile of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate
Property Insights of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate
The XLogP value of 1.9094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate. The TPSA of 127.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate. Following Lipinski's Rule of Five, 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate has 5 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 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate?
The CAS number of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate is 84849-10-5.
What is the molecular formula of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate?
The molecular formula of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate is C25H42O7.
What is the molecular weight of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate?
The molecular weight of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate is 454.29 g/mol.
Where can I buy 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate?
You can request a quote for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.