ChemDiv1_002197
TL;DR: ChemDiv1_002197 (CAS 300589-54-2) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-pyridin-3-yl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002197, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, BAS 07416659, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(3-pyridinyl)-4H-pyran-3-carboxylate, A1680/0071692
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 1.65968 |
| Topological Polar Surface Area | 124.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 792.7946 |
Chemical Identifiers
| CAS Number | 300589-54-2 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CN=CC=C2)C(=O)OCC |
Product Overview
ChemDiv1_002197 (CAS 300589-54-2), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-pyridin-3-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_002197
Property Insights of ChemDiv1_002197
The XLogP value of 1.65968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002197. The TPSA of 124.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002197. Following Lipinski's Rule of Five, ChemDiv1_002197 has 1 hydrogen bond donor(s) and 8 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_002197?
The CAS number of ChemDiv1_002197 is 300589-54-2.
What is the molecular formula of ChemDiv1_002197?
The molecular formula of ChemDiv1_002197 is C18H19N3O5.
What is the molecular weight of ChemDiv1_002197?
The molecular weight of ChemDiv1_002197 is 357.13 g/mol.
Where can I buy ChemDiv1_002197?
You can request a quote for ChemDiv1_002197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002197?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.