ChemDiv1_003772
TL;DR: ChemDiv1_003772 (CAS 303142-36-1) is a chemical compound with molecular formula C21H24BrNO5 and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_003772, 2-methoxyethyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, A0443/0020432, 2-methoxyethyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, 2-methoxyethyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydroc hromene-3-carboxylate
| Molecular Formula | C21H24BrNO5 |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 3.566 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.0838 |
| Heavy Atoms | 28 |
| Complexity | 854.0518 |
Chemical Identifiers
| CAS Number | 303142-36-1 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OCCOC)C3=CC=C(C=C3)Br)C(=O)C1)C |
Product Overview
ChemDiv1_003772 (CAS 303142-36-1), with molecular formula C21H24BrNO5 and molecular weight 449.08 g/mol. IUPAC: 2-methoxyethyl 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003772
Property Insights of ChemDiv1_003772
The XLogP value of 3.566 indicates that ChemDiv1_003772 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003772. Following Lipinski's Rule of Five, ChemDiv1_003772 has 1 hydrogen bond donor(s) and 6 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_003772?
The CAS number of ChemDiv1_003772 is 303142-36-1.
What is the molecular formula of ChemDiv1_003772?
The molecular formula of ChemDiv1_003772 is C21H24BrNO5.
What is the molecular weight of ChemDiv1_003772?
The molecular weight of ChemDiv1_003772 is 449.08 g/mol.
Where can I buy ChemDiv1_003772?
You can request a quote for ChemDiv1_003772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003772?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.