Dehydrogeijerin
TL;DR: Dehydrogeijerin (CAS 16850-91-2) 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.
7-methoxy-6-(3-methylbut-2-enoyl)chromen-2-one
Also Known As: Dehydrogeijerin, Pablohopin, Geijerin, dehydro-, starbld0000843, Coumarin, 7-methoxy-6-(3-methylcrotonoyl)-
| Molecular Formula | C15H14O4 |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0892 |
| Heavy Atoms | 19 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 16850-91-2 |
|---|---|
| SMILES | CC(=CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C |
| InChIKey | XJDSLGAFRQCARR-UHFFFAOYSA-N |
Product Overview
Dehydrogeijerin (CAS 16850-91-2), with molecular formula C15H14O4 and molecular weight 258.09 g/mol. IUPAC: 7-methoxy-6-(3-methylbut-2-enoyl)chromen-2-one.
Chemical Property Profile of Dehydrogeijerin
Property Insights of Dehydrogeijerin
The XLogP value of 3.0 indicates that Dehydrogeijerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dehydrogeijerin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dehydrogeijerin has 0 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 Dehydrogeijerin?
The CAS number of Dehydrogeijerin is 16850-91-2.
What is the molecular formula of Dehydrogeijerin?
The molecular formula of Dehydrogeijerin is C15H14O4.
What is the molecular weight of Dehydrogeijerin?
The molecular weight of Dehydrogeijerin is 258.09 g/mol.
Where can I buy Dehydrogeijerin?
You can request a quote for Dehydrogeijerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrogeijerin?
Yes, KEHONG BIO provides custom synthesis services for Dehydrogeijerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.