ChemDiv1_010662
TL;DR: ChemDiv1_010662 (CAS 107752-95-4) is a chemical compound with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_010662, BAS 00866730, ethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, J1.648.710D, AB00078849-01
| Molecular Formula | C20H22ClNO4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 3.8304 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.12375 |
| Heavy Atoms | 26 |
| Complexity | 820.7179 |
Chemical Identifiers
| CAS Number | 107752-95-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C)N |
Product Overview
ChemDiv1_010662 (CAS 107752-95-4), with molecular formula C20H22ClNO4 and molecular weight 375.12 g/mol. IUPAC: ethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_010662
Property Insights of ChemDiv1_010662
The XLogP value of 3.8304 indicates that ChemDiv1_010662 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_010662. Following Lipinski's Rule of Five, ChemDiv1_010662 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_010662?
The CAS number of ChemDiv1_010662 is 107752-95-4.
What is the molecular formula of ChemDiv1_010662?
The molecular formula of ChemDiv1_010662 is C20H22ClNO4.
What is the molecular weight of ChemDiv1_010662?
The molecular weight of ChemDiv1_010662 is 375.12 g/mol.
Where can I buy ChemDiv1_010662?
You can request a quote for ChemDiv1_010662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010662?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.