ChemDiv1_011323
TL;DR: ChemDiv1_011323 (CAS 5649-70-7) is a chemical compound with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: ChemDiv1_011323, BAS 00673185, AB00091719-01, ETHYL 2-AMINO-4-(4-BROMO-5-METHYL-2-THIENYL)-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMENE-3-CARBOXYLATE, A1722/0073373
| Molecular Formula | C17H18BrNO4S |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 3.67332 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.01398 |
| Heavy Atoms | 24 |
| Complexity | 758.0535 |
Chemical Identifiers
| CAS Number | 5649-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(S3)C)Br)C(=O)CCC2)N |
Product Overview
ChemDiv1_011323 (CAS 5649-70-7), with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol. IUPAC: ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_011323
Property Insights of ChemDiv1_011323
The XLogP value of 3.67332 indicates that ChemDiv1_011323 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_011323. Following Lipinski's Rule of Five, ChemDiv1_011323 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_011323?
The CAS number of ChemDiv1_011323 is 5649-70-7.
What is the molecular formula of ChemDiv1_011323?
The molecular formula of ChemDiv1_011323 is C17H18BrNO4S.
What is the molecular weight of ChemDiv1_011323?
The molecular weight of ChemDiv1_011323 is 411.01 g/mol.
Where can I buy ChemDiv1_011323?
You can request a quote for ChemDiv1_011323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011323?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.