ChemDiv1_002461
TL;DR: ChemDiv1_002461 (CAS 313379-61-2) is a chemical compound with molecular formula C19H18Cl2N2O5 and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002461, BAS 07416377, AB00095331-01, ethyl 6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate, ethyl 2-[6-amino-4-(2,6-dichlorophenyl)-5-cyano-3-(ethoxycarbonyl)-4H-pyran-2- yl]acetate
| Molecular Formula | C19H18Cl2N2O5 |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 3.57148 |
| Topological Polar Surface Area | 111.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.05927 |
| Heavy Atoms | 28 |
| Complexity | 881.8253 |
Chemical Identifiers
| CAS Number | 313379-61-2 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC=C2Cl)Cl)C(=O)OCC |
Product Overview
ChemDiv1_002461 (CAS 313379-61-2), with molecular formula C19H18Cl2N2O5 and molecular weight 424.06 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_002461
Property Insights of ChemDiv1_002461
The XLogP value of 3.57148 indicates that ChemDiv1_002461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002461. Following Lipinski's Rule of Five, ChemDiv1_002461 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_002461?
The CAS number of ChemDiv1_002461 is 313379-61-2.
What is the molecular formula of ChemDiv1_002461?
The molecular formula of ChemDiv1_002461 is C19H18Cl2N2O5.
What is the molecular weight of ChemDiv1_002461?
The molecular weight of ChemDiv1_002461 is 424.06 g/mol.
Where can I buy ChemDiv1_002461?
You can request a quote for ChemDiv1_002461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002461?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.