Agrostophyllin
TL;DR: Agrostophyllin (CAS 116174-99-3) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaen-6-ol
Also Known As: Agrostophyllin, 2,6-Dimethoxy-5H-phenanthro[4,5-bcd]pyran-7-ol, 5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaen-6-ol
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 116174-99-3 |
|---|---|
| SMILES | COC1=CC2=C3C(=C1)C=CC4=CC(=C(C(=C43)CO2)OC)O |
| InChIKey | JUXGBQIIXCBKIW-UHFFFAOYSA-N |
Product Overview
Agrostophyllin (CAS 116174-99-3), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: 5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaen-6-ol.
Chemical Property Profile of Agrostophyllin
Property Insights of Agrostophyllin
The XLogP value of 3.6 indicates that Agrostophyllin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Agrostophyllin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Agrostophyllin has 1 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 Agrostophyllin?
The CAS number of Agrostophyllin is 116174-99-3.
What is the molecular formula of Agrostophyllin?
The molecular formula of Agrostophyllin is C17H14O4.
What is the molecular weight of Agrostophyllin?
The molecular weight of Agrostophyllin is 282.09 g/mol.
Where can I buy Agrostophyllin?
You can request a quote for Agrostophyllin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agrostophyllin?
Yes, KEHONG BIO provides custom synthesis services for Agrostophyllin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.