ChemDiv1_010970
TL;DR: ChemDiv1_010970 (CAS 311324-72-8) is a chemical compound with molecular formula C19H21N3O5 and molecular weight 371.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_010970, BAS 00453579, ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-pyran-3-carboxylate, A1275/0058345, ethyl 6-amino-5-cyano-4-{3-nitro-2,4,6-trimethylphenyl}-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C19H21N3O5 |
|---|---|
| Molecular Weight | 371.15 g/mol |
| LogP | 3.16484 |
| Topological Polar Surface Area | 128.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.14813 |
| Heavy Atoms | 27 |
| Complexity | 937.644 |
Chemical Identifiers
| CAS Number | 311324-72-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=C(C(=C(C=C2C)C)[N+](=O)[O-])C)C#N)N)C |
Product Overview
ChemDiv1_010970 (CAS 311324-72-8), with molecular formula C19H21N3O5 and molecular weight 371.15 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_010970
Property Insights of ChemDiv1_010970
The XLogP value of 3.16484 indicates that ChemDiv1_010970 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010970. Following Lipinski's Rule of Five, ChemDiv1_010970 has 1 hydrogen bond donor(s) and 7 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_010970?
The CAS number of ChemDiv1_010970 is 311324-72-8.
What is the molecular formula of ChemDiv1_010970?
The molecular formula of ChemDiv1_010970 is C19H21N3O5.
What is the molecular weight of ChemDiv1_010970?
The molecular weight of ChemDiv1_010970 is 371.15 g/mol.
Where can I buy ChemDiv1_010970?
You can request a quote for ChemDiv1_010970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010970?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.