ChemDiv1_010576
TL;DR: ChemDiv1_010576 (CAS 300587-16-0) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-amino-6-methyl-4-(4-prop-2-enoxyphenyl)-4H-pyran-3-carbonitrile
Also Known As: ChemDiv1_010576, A0508/0023603, 5-acetyl-2-amino-6-methyl-4-[4-(prop-2-en-1-yloxy)phenyl]-4H-pyran-3-carbonitrile, 5-acetyl-4-(4-(allyloxy)phenyl)-2-amino-6-methyl-4H-pyran-3-carbonitrile, 5-acetyl-2-amino-6-methyl-4-(4-prop-2-enoxyphenyl)-4H-pyran-3-carbonitrile
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 2.92208 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 736.5253 |
Chemical Identifiers
| CAS Number | 300587-16-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)OCC=C)C(=O)C |
Product Overview
ChemDiv1_010576 (CAS 300587-16-0), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: 5-acetyl-2-amino-6-methyl-4-(4-prop-2-enoxyphenyl)-4H-pyran-3-carbonitrile.
Chemical Property Profile of ChemDiv1_010576
Property Insights of ChemDiv1_010576
The XLogP value of 2.92208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010576. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010576. Following Lipinski's Rule of Five, ChemDiv1_010576 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 ChemDiv1_010576?
The CAS number of ChemDiv1_010576 is 300587-16-0.
What is the molecular formula of ChemDiv1_010576?
The molecular formula of ChemDiv1_010576 is C18H18N2O3.
What is the molecular weight of ChemDiv1_010576?
The molecular weight of ChemDiv1_010576 is 310.13 g/mol.
Where can I buy ChemDiv1_010576?
You can request a quote for ChemDiv1_010576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010576?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.