ChemDiv1_013441
TL;DR: ChemDiv1_013441 (CAS 422288-54-8) is a chemical compound with molecular formula C28H27BrN4O4S and molecular weight 594.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-bromo-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
Also Known As: ChemDiv1_013441, 4-[(2-{[(benzylcarbamoyl)methyl]sulfanyl}-6-bromo-4-oxo-3,4-dihydroquinazolin-3-yl)methyl]-N-(2-methoxyethyl)benzamide, F3168-1881, 4-((2-((2-(benzylamino)-2-oxoethyl)thio)-6-bromo-4-oxoquinazolin-3(4H)-yl)methyl)-N-(2-methoxyethyl)benzamide, 4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-bromo-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
| Molecular Formula | C28H27BrN4O4S |
|---|---|
| Molecular Weight | 594.09 g/mol |
| LogP | 3.992 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 594.0936 |
| Heavy Atoms | 38 |
| Complexity | 1476.4667 |
Chemical Identifiers
| CAS Number | 422288-54-8 |
|---|---|
| SMILES | COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCC4=CC=CC=C4 |
Product Overview
ChemDiv1_013441 (CAS 422288-54-8), with molecular formula C28H27BrN4O4S and molecular weight 594.09 g/mol. IUPAC: 4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-bromo-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide.
Chemical Property Profile of ChemDiv1_013441
Property Insights of ChemDiv1_013441
The XLogP value of 3.992 indicates that ChemDiv1_013441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013441. Following Lipinski's Rule of Five, ChemDiv1_013441 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013441?
The CAS number of ChemDiv1_013441 is 422288-54-8.
What is the molecular formula of ChemDiv1_013441?
The molecular formula of ChemDiv1_013441 is C28H27BrN4O4S.
What is the molecular weight of ChemDiv1_013441?
The molecular weight of ChemDiv1_013441 is 594.09 g/mol.
Where can I buy ChemDiv1_013441?
You can request a quote for ChemDiv1_013441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013441?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.