ChemDiv1_003414
TL;DR: ChemDiv1_003414 (CAS 302948-64-7) is a chemical compound with molecular formula C20H16BrNO6S and molecular weight 476.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003414, BIM-0046012.P001, ethyl 5-acetyl-2-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-(6-bromo-2-oxo-2H-chromene-3-amido)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-(6-bromo-2-oxo-2H-chromene-3-carboxamido)-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H16BrNO6S |
|---|---|
| Molecular Weight | 476.99 g/mol |
| LogP | 4.55702 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.98816 |
| Heavy Atoms | 29 |
| Complexity | 1209.6372 |
Chemical Identifiers
| CAS Number | 302948-64-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O |
Product Overview
ChemDiv1_003414 (CAS 302948-64-7), with molecular formula C20H16BrNO6S and molecular weight 476.99 g/mol. IUPAC: ethyl 5-acetyl-2-[(6-bromo-2-oxochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003414
Property Insights of ChemDiv1_003414
The XLogP value of 4.55702 indicates that ChemDiv1_003414 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003414. Following Lipinski's Rule of Five, ChemDiv1_003414 has 1 hydrogen bond donor(s) and 7 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_003414?
The CAS number of ChemDiv1_003414 is 302948-64-7.
What is the molecular formula of ChemDiv1_003414?
The molecular formula of ChemDiv1_003414 is C20H16BrNO6S.
What is the molecular weight of ChemDiv1_003414?
The molecular weight of ChemDiv1_003414 is 476.99 g/mol.
Where can I buy ChemDiv1_003414?
You can request a quote for ChemDiv1_003414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003414?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.