dihydrograyanotoxin II
TL;DR: dihydrograyanotoxin II (CAS 38776-76-0) is a chemical compound with molecular formula C20H34O5 and molecular weight 354.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,4R,6S,8S,9S,10S,13S,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol
Also Known As: Dihydrograyanotoxin II, Tetramethyl[?]pentol, alpha-Dihydrograyanotoxin II, .alpha.-Dihydrograyanotoxin II, KST-1A4645
| Molecular Formula | C20H34O5 |
|---|---|
| Molecular Weight | 354.24 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.24063 |
| Heavy Atoms | 25 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 38776-76-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@H]3[C@H]([C@@]2(C[C@H]([C@]4([C@H]1C[C@@H](C4(C)C)O)O)O)C[C@@]3(C)O)O |
| InChIKey | IGKWESNBSFVVHE-NNTZHCKBSA-N |
Product Overview
dihydrograyanotoxin II (CAS 38776-76-0), with molecular formula C20H34O5 and molecular weight 354.24 g/mol. IUPAC: (1S,3R,4R,6S,8S,9S,10S,13S,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol.
Chemical Property Profile of dihydrograyanotoxin II
Property Insights of dihydrograyanotoxin II
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dihydrograyanotoxin II. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dihydrograyanotoxin II. Following Lipinski's Rule of Five, dihydrograyanotoxin II has 5 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 dihydrograyanotoxin II?
The CAS number of dihydrograyanotoxin II is 38776-76-0.
What is the molecular formula of dihydrograyanotoxin II?
The molecular formula of dihydrograyanotoxin II is C20H34O5.
What is the molecular weight of dihydrograyanotoxin II?
The molecular weight of dihydrograyanotoxin II is 354.24 g/mol.
Where can I buy dihydrograyanotoxin II?
You can request a quote for dihydrograyanotoxin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dihydrograyanotoxin II?
Yes, KEHONG BIO provides custom synthesis services for dihydrograyanotoxin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.