ChemDiv1_002329
TL;DR: ChemDiv1_002329 (CAS 304873-13-0) is a chemical compound with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002329, AB00095294-01, ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, ethyl 2-[6-amino-5-cyano-3-(ethoxycarbonyl)-4-(4-methoxyphenyl)-4H-pyran-2-yl] acetate
| Molecular Formula | C20H22N2O6 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 2.27328 |
| Topological Polar Surface Area | 120.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1478 |
| Heavy Atoms | 28 |
| Complexity | 848.442 |
Chemical Identifiers
| CAS Number | 304873-13-0 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)OC)C(=O)OCC |
Product Overview
ChemDiv1_002329 (CAS 304873-13-0), with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_002329
Property Insights of ChemDiv1_002329
The XLogP value of 2.27328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_002329. The TPSA of 120.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002329. Following Lipinski's Rule of Five, ChemDiv1_002329 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_002329?
The CAS number of ChemDiv1_002329 is 304873-13-0.
What is the molecular formula of ChemDiv1_002329?
The molecular formula of ChemDiv1_002329 is C20H22N2O6.
What is the molecular weight of ChemDiv1_002329?
The molecular weight of ChemDiv1_002329 is 386.15 g/mol.
Where can I buy ChemDiv1_002329?
You can request a quote for ChemDiv1_002329 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002329?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002329 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.