Demethylvestitol
TL;DR: Demethylvestitol (CAS 65332-45-8) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
Also Known As: Demethylvestitol, Arduan, Pipecurium bromide, Pipecuronio bromuro, 2',4',7-Trihydroxyisoflavan
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 65332-45-8 |
|---|---|
| SMILES | C1C(COC2=C1C=CC(=C2)O)C3=C(C=C(C=C3)O)O |
| InChIKey | CJZBXHPHEBCWLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demethylvestitol (CAS 65332-45-8), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol.
Chemical Property Profile of Demethylvestitol
Property Insights of Demethylvestitol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethylvestitol. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethylvestitol. Following Lipinski's Rule of Five, Demethylvestitol has 3 hydrogen bond donor(s) and 4 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 Demethylvestitol?
The CAS number of Demethylvestitol is 65332-45-8.
What is the molecular formula of Demethylvestitol?
The molecular formula of Demethylvestitol is C15H14O4.
What is the molecular weight of Demethylvestitol?
The molecular weight of Demethylvestitol is 258.09 g/mol.
Where can I buy Demethylvestitol?
You can request a quote for Demethylvestitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylvestitol?
Yes, KEHONG BIO provides custom synthesis services for Demethylvestitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.