Denudatin B
TL;DR: Denudatin B (CAS 87402-88-8) is a chemical compound with molecular formula C21H24O5 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,3aR)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Also Known As: Denudatin B, (-)-Denudatin B, kadsurenone, Denudatine B, (+)-Denudatin B
| Molecular Formula | C21H24O5 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.16238 |
| Heavy Atoms | 26 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 87402-88-8 |
|---|---|
| SMILES | C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@@]12OC)CC=C)C3=CC(=C(C=C3)OC)OC |
| InChIKey | VDYACOATPFOZIO-HBUDHLSFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Denudatin B (CAS 87402-88-8), with molecular formula C21H24O5 and molecular weight 356.16 g/mol. IUPAC: (2S,3R,3aR)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one.
Chemical Property Profile of Denudatin B
Property Insights of Denudatin B
The XLogP value of 3.2 indicates that Denudatin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Denudatin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Denudatin B has 0 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 Denudatin B?
The CAS number of Denudatin B is 87402-88-8.
What is the molecular formula of Denudatin B?
The molecular formula of Denudatin B is C21H24O5.
What is the molecular weight of Denudatin B?
The molecular weight of Denudatin B is 356.16 g/mol.
Where can I buy Denudatin B?
You can request a quote for Denudatin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denudatin B?
Yes, KEHONG BIO provides custom synthesis services for Denudatin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.