ChemDiv1_000962
TL;DR: ChemDiv1_000962 (CAS 81829-60-9) is a chemical compound with molecular formula C18H18BrNO4 and molecular weight 391.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: ChemDiv1_000962, BAS 00758769, ethyl 2-amino-4-(3-bromophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, J2.910.961C, ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
| Molecular Formula | C18H18BrNO4 |
|---|---|
| Molecular Weight | 391.04 g/mol |
| LogP | 3.3034 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.04193 |
| Heavy Atoms | 24 |
| Complexity | 766.0372 |
Chemical Identifiers
| CAS Number | 81829-60-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Br)C(=O)CCC2)N |
Product Overview
ChemDiv1_000962 (CAS 81829-60-9), with molecular formula C18H18BrNO4 and molecular weight 391.04 g/mol. IUPAC: ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_000962
Property Insights of ChemDiv1_000962
The XLogP value of 3.3034 indicates that ChemDiv1_000962 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_000962. Following Lipinski's Rule of Five, ChemDiv1_000962 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_000962?
The CAS number of ChemDiv1_000962 is 81829-60-9.
What is the molecular formula of ChemDiv1_000962?
The molecular formula of ChemDiv1_000962 is C18H18BrNO4.
What is the molecular weight of ChemDiv1_000962?
The molecular weight of ChemDiv1_000962 is 391.04 g/mol.
Where can I buy ChemDiv1_000962?
You can request a quote for ChemDiv1_000962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000962?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.