ChemDiv1_000836
TL;DR: ChemDiv1_000836 (CAS 304433-17-8) is a chemical compound with molecular formula C20H21Cl2NO4 and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_000836, BAS 00758782, ethyl 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochrom ene-3-carboxylate, ethyl 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
| Molecular Formula | C20H21Cl2NO4 |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 4.4838 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.08478 |
| Heavy Atoms | 27 |
| Complexity | 865.71796 |
Chemical Identifiers
| CAS Number | 304433-17-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC=C3Cl)Cl)C(=O)CC(C2)(C)C)N |
Product Overview
ChemDiv1_000836 (CAS 304433-17-8), with molecular formula C20H21Cl2NO4 and molecular weight 409.08 g/mol. IUPAC: ethyl 2-amino-4-(2,6-dichlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_000836
Property Insights of ChemDiv1_000836
The XLogP value of 4.4838 indicates that ChemDiv1_000836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000836. Following Lipinski's Rule of Five, ChemDiv1_000836 has 1 hydrogen bond donor(s) and 5 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_000836?
The CAS number of ChemDiv1_000836 is 304433-17-8.
What is the molecular formula of ChemDiv1_000836?
The molecular formula of ChemDiv1_000836 is C20H21Cl2NO4.
What is the molecular weight of ChemDiv1_000836?
The molecular weight of ChemDiv1_000836 is 409.08 g/mol.
Where can I buy ChemDiv1_000836?
You can request a quote for ChemDiv1_000836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000836?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.