ChemDiv2_005906
TL;DR: ChemDiv2_005906 (CAS 892285-84-6) is a chemical compound with molecular formula C20H21BrN4O5S and molecular weight 508.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Also Known As: ChemDiv2_005906, IDI1_004621, 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide, N-{2-[4-(aminosulfonyl)phenyl]ethyl}-4-(6-bromo-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide, 4-(6-bromo-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(4-sulfamoylphenethyl)butanamide
| Molecular Formula | C20H21BrN4O5S |
|---|---|
| Molecular Weight | 508.04 g/mol |
| LogP | 1.2388 |
| Topological Polar Surface Area | 144.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.0416 |
| Heavy Atoms | 31 |
| Complexity | 1330.4177 |
Chemical Identifiers
| CAS Number | 892285-84-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=O)S(=O)(=O)N |
Product Overview
ChemDiv2_005906 (CAS 892285-84-6), with molecular formula C20H21BrN4O5S and molecular weight 508.04 g/mol. IUPAC: 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
Chemical Property Profile of ChemDiv2_005906
Property Insights of ChemDiv2_005906
The XLogP value of 1.2388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005906. The TPSA of 144.12 Ų indicates high polarity, suggesting ChemDiv2_005906 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv2_005906 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv2_005906?
The CAS number of ChemDiv2_005906 is 892285-84-6.
What is the molecular formula of ChemDiv2_005906?
The molecular formula of ChemDiv2_005906 is C20H21BrN4O5S.
What is the molecular weight of ChemDiv2_005906?
The molecular weight of ChemDiv2_005906 is 508.04 g/mol.
Where can I buy ChemDiv2_005906?
You can request a quote for ChemDiv2_005906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005906?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.