ChemDiv1_010792
TL;DR: ChemDiv1_010792 (CAS 305867-61-2) is a chemical compound with molecular formula C19H20BrNO5 and molecular weight 421.05 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)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: ChemDiv1_010792, A0443/0020433, 2-methoxyethyl 2-amino-4-(4-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, 2-methoxyethyl 2-amino-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
| Molecular Formula | C19H20BrNO5 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 2.9299 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.0525 |
| Heavy Atoms | 26 |
| Complexity | 781.62415 |
Chemical Identifiers
| CAS Number | 305867-61-2 |
|---|---|
| SMILES | COCCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Br)C(=O)CCC2)N |
Product Overview
ChemDiv1_010792 (CAS 305867-61-2), with molecular formula C19H20BrNO5 and molecular weight 421.05 g/mol. IUPAC: 2-methoxyethyl 2-amino-4-(4-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_010792
Property Insights of ChemDiv1_010792
The XLogP value of 2.9299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010792. The TPSA of 87.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010792. Following Lipinski's Rule of Five, ChemDiv1_010792 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_010792?
The CAS number of ChemDiv1_010792 is 305867-61-2.
What is the molecular formula of ChemDiv1_010792?
The molecular formula of ChemDiv1_010792 is C19H20BrNO5.
What is the molecular weight of ChemDiv1_010792?
The molecular weight of ChemDiv1_010792 is 421.05 g/mol.
Where can I buy ChemDiv1_010792?
You can request a quote for ChemDiv1_010792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010792?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.