ChemDiv1_013485
TL;DR: ChemDiv1_013485 (CAS 422288-59-3) is a chemical compound with molecular formula C26H25BrN4O5S and molecular weight 584.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-bromo-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
Also Known As: ChemDiv1_013485, 4-({6-bromo-2-[({[(furan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide, F3168-1885, 4-[[6-bromo-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide, 4-((6-bromo-2-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-(2-methoxyethyl)benzamide
| Molecular Formula | C26H25BrN4O5S |
|---|---|
| Molecular Weight | 584.07 g/mol |
| LogP | 3.585 |
| Topological Polar Surface Area | 115.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 584.0729 |
| Heavy Atoms | 37 |
| Complexity | 1438.1318 |
Chemical Identifiers
| CAS Number | 422288-59-3 |
|---|---|
| SMILES | COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCC4=CC=CO4 |
Product Overview
ChemDiv1_013485 (CAS 422288-59-3), with molecular formula C26H25BrN4O5S and molecular weight 584.07 g/mol. IUPAC: 4-[[6-bromo-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide.
Chemical Property Profile of ChemDiv1_013485
Property Insights of ChemDiv1_013485
The XLogP value of 3.585 indicates that ChemDiv1_013485 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013485. Following Lipinski's Rule of Five, ChemDiv1_013485 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013485?
The CAS number of ChemDiv1_013485 is 422288-59-3.
What is the molecular formula of ChemDiv1_013485?
The molecular formula of ChemDiv1_013485 is C26H25BrN4O5S.
What is the molecular weight of ChemDiv1_013485?
The molecular weight of ChemDiv1_013485 is 584.07 g/mol.
Where can I buy ChemDiv1_013485?
You can request a quote for ChemDiv1_013485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013485?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.