ChemDiv1_013617
TL;DR: ChemDiv1_013617 (CAS 422288-67-3) is a chemical compound with molecular formula C25H24BrN5O5S and molecular weight 585.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-bromo-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
Also Known As: ChemDiv1_013617, F3168-1890, 4-{[6-bromo-2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide, 4-((6-bromo-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)methyl)-N-(2-methoxyethyl)benzamide, 4-[[6-bromo-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
| Molecular Formula | C25H24BrN5O5S |
|---|---|
| Molecular Weight | 585.07 g/mol |
| LogP | 3.61072 |
| Topological Polar Surface Area | 128.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 585.0682 |
| Heavy Atoms | 37 |
| Complexity | 1485.3567 |
Chemical Identifiers
| CAS Number | 422288-67-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=C(C=C4)C(=O)NCCOC |
Product Overview
ChemDiv1_013617 (CAS 422288-67-3), with molecular formula C25H24BrN5O5S and molecular weight 585.07 g/mol. IUPAC: 4-[[6-bromo-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide.
Chemical Property Profile of ChemDiv1_013617
Property Insights of ChemDiv1_013617
The XLogP value of 3.61072 indicates that ChemDiv1_013617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013617. Following Lipinski's Rule of Five, ChemDiv1_013617 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013617?
The CAS number of ChemDiv1_013617 is 422288-67-3.
What is the molecular formula of ChemDiv1_013617?
The molecular formula of ChemDiv1_013617 is C25H24BrN5O5S.
What is the molecular weight of ChemDiv1_013617?
The molecular weight of ChemDiv1_013617 is 585.07 g/mol.
Where can I buy ChemDiv1_013617?
You can request a quote for ChemDiv1_013617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013617?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.