Demethylmoracin I
TL;DR: Demethylmoracin I (CAS 376590-16-8) is a chemical compound with molecular formula C19H18O4 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-enyl)benzene-1,3-diol
Also Known As: demethylmoracin I, demethyl-moracin I, J1.623.749C, 5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-enyl)benzene-1,3-diol, 1,3-benzenediol, 5-(6-hydroxy-2-benzofuranyl)-4-(3-methyl-2-butenyl)-
| Molecular Formula | C19H18O4 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.1205 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 376590-16-8 |
|---|---|
| SMILES | CC(=CCC1=C(C=C(C=C1O)O)C2=CC3=C(O2)C=C(C=C3)O)C |
| InChIKey | KDDIWXQFRQYXCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demethylmoracin I (CAS 376590-16-8), with molecular formula C19H18O4 and molecular weight 310.12 g/mol. IUPAC: 5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-enyl)benzene-1,3-diol.
Chemical Property Profile of Demethylmoracin I
Property Insights of Demethylmoracin I
The XLogP value of 4.8 indicates that Demethylmoracin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethylmoracin I. Following Lipinski's Rule of Five, Demethylmoracin I 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 Demethylmoracin I?
The CAS number of Demethylmoracin I is 376590-16-8.
What is the molecular formula of Demethylmoracin I?
The molecular formula of Demethylmoracin I is C19H18O4.
What is the molecular weight of Demethylmoracin I?
The molecular weight of Demethylmoracin I is 310.12 g/mol.
Where can I buy Demethylmoracin I?
You can request a quote for Demethylmoracin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylmoracin I?
Yes, KEHONG BIO provides custom synthesis services for Demethylmoracin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.