6'-Dehydromarmin
TL;DR: 6'-Dehydromarmin (CAS 36413-96-4) is a chemical compound with molecular formula C19H22O5 and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(7-hydroxy-3,7-dimethyl-6-oxooct-2-enoxy)chromen-2-one
Also Known As: 6'-Dehydromarmin, NCI60_002349, 7-(7-hydroxy-3,7-dimethyl-6-oxooct-2-enoxy)chromen-2-one
| Molecular Formula | C19H22O5 |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.14673 |
| Heavy Atoms | 24 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 36413-96-4 |
|---|---|
| SMILES | CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(=O)C(C)(C)O |
| InChIKey | YSRYKTUWDVLRLA-UHFFFAOYSA-N |
Product Overview
6'-Dehydromarmin (CAS 36413-96-4), with molecular formula C19H22O5 and molecular weight 330.15 g/mol. IUPAC: 7-(7-hydroxy-3,7-dimethyl-6-oxooct-2-enoxy)chromen-2-one.
Chemical Property Profile of 6'-Dehydromarmin
Property Insights of 6'-Dehydromarmin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6'-Dehydromarmin. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6'-Dehydromarmin. Following Lipinski's Rule of Five, 6'-Dehydromarmin has 1 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 6'-Dehydromarmin?
The CAS number of 6'-Dehydromarmin is 36413-96-4.
What is the molecular formula of 6'-Dehydromarmin?
The molecular formula of 6'-Dehydromarmin is C19H22O5.
What is the molecular weight of 6'-Dehydromarmin?
The molecular weight of 6'-Dehydromarmin is 330.15 g/mol.
Where can I buy 6'-Dehydromarmin?
You can request a quote for 6'-Dehydromarmin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-Dehydromarmin?
Yes, KEHONG BIO provides custom synthesis services for 6'-Dehydromarmin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.