Agrimonolide
TL;DR: Agrimonolide (CAS 24609-91-4) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one
Also Known As: Agrimonolide, Agrimonolid, MEGxp0_000428, HY-N2830, (3S)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 24609-91-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC[C@H]2CC3=C(C(=CC(=C3)O)O)C(=O)O2 |
| InChIKey | TYFJTEPDESMEHE-HNNXBMFYSA-N |
Product Overview
Agrimonolide (CAS 24609-91-4), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: (3S)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one.
Chemical Property Profile of Agrimonolide
Property Insights of Agrimonolide
The XLogP value of 4.0 indicates that Agrimonolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Agrimonolide. Following Lipinski's Rule of Five, Agrimonolide has 2 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 Agrimonolide?
The CAS number of Agrimonolide is 24609-91-4.
What is the molecular formula of Agrimonolide?
The molecular formula of Agrimonolide is C18H18O5.
What is the molecular weight of Agrimonolide?
The molecular weight of Agrimonolide is 314.12 g/mol.
Where can I buy Agrimonolide?
You can request a quote for Agrimonolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agrimonolide?
Yes, KEHONG BIO provides custom synthesis services for Agrimonolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.