Vestitol
TL;DR: Vestitol (CAS 56701-24-7) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Also Known As: Vestitol, (+/-)-Vestitol, DL-Vestitol, (-)-Vestitol, (+-)-Vestitol
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 56701-24-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O |
| InChIKey | XRVFNNUXNVWYTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vestitol (CAS 56701-24-7), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
Chemical Property Profile of Vestitol
Property Insights of Vestitol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vestitol. With a topological polar surface area (TPSA) of 58.9 Ų, Vestitol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vestitol has 2 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 Vestitol?
The CAS number of Vestitol is 56701-24-7.
What is the molecular formula of Vestitol?
The molecular formula of Vestitol is C16H16O4.
What is the molecular weight of Vestitol?
The molecular weight of Vestitol is 272.10 g/mol.
Where can I buy Vestitol?
You can request a quote for Vestitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vestitol?
Yes, KEHONG BIO provides custom synthesis services for Vestitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.