Dihydroxydeodactol monoacetate
TL;DR: Dihydroxydeodactol monoacetate (CAS 72926-49-9) is a chemical compound with molecular formula C17H27Br2ClO5 and molecular weight 503.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-bromo-2-(5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl)-2,6,6-trimethyloxan-3-yl] acetate
Also Known As: Dihydroxydeodactol monoacetate, DEODACTOL, DIHYDROXY MONOACETATE B704730K436, [5-bromo-2-(5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl)-2,6,6-trimethyloxan-3-yl] acetate, 4-O-Acetyl-1,5-anhydro-2-bromo-5-(5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl)-2,3-dideoxy-1,1,5-trimethylpentitol
| Molecular Formula | C17H27Br2ClO5 |
|---|---|
| Molecular Weight | 503.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 503.9914 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 72926-49-9 |
|---|---|
| SMILES | CC(=O)OC1CC(C(OC1(C)C2(CC(C(CC2O)(C)Cl)Br)O)(C)C)Br |
| InChIKey | WYLMPPJIVJAKPN-UHFFFAOYSA-N |
Product Overview
Dihydroxydeodactol monoacetate (CAS 72926-49-9), with molecular formula C17H27Br2ClO5 and molecular weight 503.99 g/mol. IUPAC: [5-bromo-2-(5-bromo-4-chloro-1,2-dihydroxy-4-methylcyclohexyl)-2,6,6-trimethyloxan-3-yl] acetate.
Chemical Property Profile of Dihydroxydeodactol monoacetate
Property Insights of Dihydroxydeodactol monoacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydroxydeodactol monoacetate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydroxydeodactol monoacetate. Following Lipinski's Rule of Five, Dihydroxydeodactol monoacetate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydroxydeodactol monoacetate?
The CAS number of Dihydroxydeodactol monoacetate is 72926-49-9.
What is the molecular formula of Dihydroxydeodactol monoacetate?
The molecular formula of Dihydroxydeodactol monoacetate is C17H27Br2ClO5.
What is the molecular weight of Dihydroxydeodactol monoacetate?
The molecular weight of Dihydroxydeodactol monoacetate is 503.99 g/mol.
Where can I buy Dihydroxydeodactol monoacetate?
You can request a quote for Dihydroxydeodactol monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroxydeodactol monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Dihydroxydeodactol monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.