3'-O-Acetylhamaudol
TL;DR: 3'-O-Acetylhamaudol (CAS 30358-88-4) is a chemical compound with molecular formula C17H18O6 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate
Also Known As: 3'-O-Acetylhamaudol, 3'-?O-?Acetylhamaudol, Hamaudol acetate, 3-O-acetylhamaudol, 3'-O-acetyhamaudol
| Molecular Formula | C17H18O6 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 2.45222 |
| Topological Polar Surface Area | 85.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.11035 |
| Heavy Atoms | 23 |
| Complexity | 861.4931 |
Chemical Identifiers
| CAS Number | 30358-88-4 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)OC(=O)C)(C)C)O |
Product Overview
3'-O-Acetylhamaudol (CAS 30358-88-4), with molecular formula C17H18O6 and molecular weight 318.11 g/mol. IUPAC: [(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] acetate.
Chemical Property Profile of 3'-O-Acetylhamaudol
Property Insights of 3'-O-Acetylhamaudol
The XLogP value of 2.45222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-O-Acetylhamaudol. The TPSA of 85.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-O-Acetylhamaudol. Following Lipinski's Rule of Five, 3'-O-Acetylhamaudol has 1 hydrogen bond donor(s) and 6 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'-O-Acetylhamaudol?
The CAS number of 3'-O-Acetylhamaudol is 30358-88-4.
What is the molecular formula of 3'-O-Acetylhamaudol?
The molecular formula of 3'-O-Acetylhamaudol is C17H18O6.
What is the molecular weight of 3'-O-Acetylhamaudol?
The molecular weight of 3'-O-Acetylhamaudol is 318.11 g/mol.
Where can I buy 3'-O-Acetylhamaudol?
You can request a quote for 3'-O-Acetylhamaudol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-O-Acetylhamaudol?
Yes, KEHONG BIO provides custom synthesis services for 3'-O-Acetylhamaudol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.