ChemDiv3_012360
TL;DR: ChemDiv3_012360 (CAS 422287-98-7) is a chemical compound with molecular formula C19H23BrN4O4S and molecular weight 482.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate
Also Known As: ChemDiv3_012360, BRD-K91368686-001-01-5, ethyl 4-(4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)butanoyl)piperazine-1-carboxylate, ethyl 4-[4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate, ethyl 4-[4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)butanoyl]piperazine-1-carboxylate
| Molecular Formula | C19H23BrN4O4S |
|---|---|
| Molecular Weight | 482.06 g/mol |
| LogP | 2.90249 |
| Topological Polar Surface Area | 87.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.06235 |
| Heavy Atoms | 29 |
| Complexity | 1027.0216 |
Chemical Identifiers
| CAS Number | 422287-98-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
ChemDiv3_012360 (CAS 422287-98-7), with molecular formula C19H23BrN4O4S and molecular weight 482.06 g/mol. IUPAC: ethyl 4-[4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv3_012360
Property Insights of ChemDiv3_012360
The XLogP value of 2.90249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012360. The TPSA of 87.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012360. Following Lipinski's Rule of Five, ChemDiv3_012360 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 ChemDiv3_012360?
The CAS number of ChemDiv3_012360 is 422287-98-7.
What is the molecular formula of ChemDiv3_012360?
The molecular formula of ChemDiv3_012360 is C19H23BrN4O4S.
What is the molecular weight of ChemDiv3_012360?
The molecular weight of ChemDiv3_012360 is 482.06 g/mol.
Where can I buy ChemDiv3_012360?
You can request a quote for ChemDiv3_012360 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012360?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012360 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.