ChemDiv1_013529
TL;DR: ChemDiv1_013529 (CAS 422288-62-8) is a chemical compound with molecular formula C26H29BrN4O5S and molecular weight 588.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-bromo-4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
Also Known As: ChemDiv1_013529, 4-({6-bromo-4-oxo-2-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)-N-(2-methoxyethyl)benzamide, F3168-1887, 4-[[6-bromo-4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide, 4-((6-bromo-4-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)quinazolin-3(4H)-yl)methyl)-N-(2-methoxyethyl)benzamide
| Molecular Formula | C26H29BrN4O5S |
|---|---|
| Molecular Weight | 588.10 g/mol |
| LogP | 2.9708 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 588.1042 |
| Heavy Atoms | 37 |
| Complexity | 1308.8052 |
Chemical Identifiers
| CAS Number | 422288-62-8 |
|---|---|
| SMILES | COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCC4CCCO4 |
Product Overview
ChemDiv1_013529 (CAS 422288-62-8), with molecular formula C26H29BrN4O5S and molecular weight 588.10 g/mol. IUPAC: 4-[[6-bromo-4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide.
Chemical Property Profile of ChemDiv1_013529
Property Insights of ChemDiv1_013529
The XLogP value of 2.9708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_013529. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013529. Following Lipinski's Rule of Five, ChemDiv1_013529 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_013529?
The CAS number of ChemDiv1_013529 is 422288-62-8.
What is the molecular formula of ChemDiv1_013529?
The molecular formula of ChemDiv1_013529 is C26H29BrN4O5S.
What is the molecular weight of ChemDiv1_013529?
The molecular weight of ChemDiv1_013529 is 588.10 g/mol.
Where can I buy ChemDiv1_013529?
You can request a quote for ChemDiv1_013529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013529?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.