Miracil A
TL;DR: Miracil A (CAS 40452-15-1) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethylamino]-4-methylxanthen-9-one
Also Known As: Miracil A, 9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-methyl-, J3.258.979K, 1-(2-diethylaminoethylamino)-4-methylxanthen-9-one, 1-[2-(diethylamino)ethylamino]-4-methylxanthen-9-one
| Molecular Formula | C20H24N2O2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.18378 |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 40452-15-1 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)C)OC3=CC=CC=C3C2=O |
| InChIKey | KHMPNHDYZSKNGR-UHFFFAOYSA-N |
Product Overview
Miracil A (CAS 40452-15-1), with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol. IUPAC: 1-[2-(diethylamino)ethylamino]-4-methylxanthen-9-one.
Chemical Property Profile of Miracil A
Property Insights of Miracil A
The XLogP value of 3.4 indicates that Miracil A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Miracil A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Miracil A 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 Miracil A?
The CAS number of Miracil A is 40452-15-1.
What is the molecular formula of Miracil A?
The molecular formula of Miracil A is C20H24N2O2.
What is the molecular weight of Miracil A?
The molecular weight of Miracil A is 324.18 g/mol.
Where can I buy Miracil A?
You can request a quote for Miracil A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Miracil A?
Yes, KEHONG BIO provides custom synthesis services for Miracil A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.