ChemDiv1_002153
TL;DR: ChemDiv1_002153 (CAS 313379-38-3) is a chemical compound with molecular formula C19H19FN2O5 and molecular weight 374.13 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-(2-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002153, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-fluorophenyl)-4H-pyran-3-carboxylate, AB00095253-01, AN-512/12674161, ethyl 2-[6-amino-5-cyano-3-(ethoxycarbonyl)-4-(2-fluorophenyl)-4H-pyran-2-yl]a cetate
| Molecular Formula | C19H19FN2O5 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 2.40378 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.1278 |
| Heavy Atoms | 27 |
| Complexity | 853.9011 |
Chemical Identifiers
| CAS Number | 313379-38-3 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2F)C(=O)OCC |
Product Overview
ChemDiv1_002153 (CAS 313379-38-3), with molecular formula C19H19FN2O5 and molecular weight 374.13 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-fluorophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_002153
Property Insights of ChemDiv1_002153
The XLogP value of 2.40378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002153. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002153. Following Lipinski's Rule of Five, ChemDiv1_002153 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_002153?
The CAS number of ChemDiv1_002153 is 313379-38-3.
What is the molecular formula of ChemDiv1_002153?
The molecular formula of ChemDiv1_002153 is C19H19FN2O5.
What is the molecular weight of ChemDiv1_002153?
The molecular weight of ChemDiv1_002153 is 374.13 g/mol.
Where can I buy ChemDiv1_002153?
You can request a quote for ChemDiv1_002153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002153?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.