Demethoxyencecalin
TL;DR: Demethoxyencecalin (CAS 19013-07-1) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dimethylchromen-6-yl)ethanone
Also Known As: Demethoxyencecalin, Desmethoxyencecalin, 1-(2,2-dimethylchromen-6-yl)ethanone, 1-(2,2-dimethyl-2H-chromen-6-yl)ethanone, 6-acetyl-2,2-dimethyl-2H-1-benzopyran
| Molecular Formula | C13H14O2 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.09938 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 19013-07-1 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)OC(C=C2)(C)C |
| InChIKey | ZAJTXVHECZCXLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demethoxyencecalin (CAS 19013-07-1), with molecular formula C13H14O2 and molecular weight 202.10 g/mol. IUPAC: 1-(2,2-dimethylchromen-6-yl)ethanone.
Chemical Property Profile of Demethoxyencecalin
Property Insights of Demethoxyencecalin
The XLogP value of 3.0 indicates that Demethoxyencecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Demethoxyencecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demethoxyencecalin has 0 hydrogen bond donor(s) and 2 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 Demethoxyencecalin?
The CAS number of Demethoxyencecalin is 19013-07-1.
What is the molecular formula of Demethoxyencecalin?
The molecular formula of Demethoxyencecalin is C13H14O2.
What is the molecular weight of Demethoxyencecalin?
The molecular weight of Demethoxyencecalin is 202.10 g/mol.
Where can I buy Demethoxyencecalin?
You can request a quote for Demethoxyencecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethoxyencecalin?
Yes, KEHONG BIO provides custom synthesis services for Demethoxyencecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.