ChemDiv1_013767
TL;DR: ChemDiv1_013767 (CAS 403729-59-9) is a chemical compound with molecular formula C26H22BrN3O4S and molecular weight 551.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(2-methoxyethyl)benzamide
Also Known As: ChemDiv1_013767, 4-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-methoxyethyl)benzamide, F0912-3621, 4-(2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(2-methoxyethyl)benzamide, 4-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(2-methoxyethyl)benzamide
| Molecular Formula | C26H22BrN3O4S |
|---|---|
| Molecular Weight | 551.05 g/mol |
| LogP | 4.4994 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 551.05145 |
| Heavy Atoms | 35 |
| Complexity | 1419.7389 |
Chemical Identifiers
| CAS Number | 403729-59-9 |
|---|---|
| SMILES | COCCNC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_013767 (CAS 403729-59-9), with molecular formula C26H22BrN3O4S and molecular weight 551.05 g/mol. IUPAC: 4-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(2-methoxyethyl)benzamide.
Chemical Property Profile of ChemDiv1_013767
Property Insights of ChemDiv1_013767
The XLogP value of 4.4994 indicates that ChemDiv1_013767 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013767. Following Lipinski's Rule of Five, ChemDiv1_013767 has 1 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_013767?
The CAS number of ChemDiv1_013767 is 403729-59-9.
What is the molecular formula of ChemDiv1_013767?
The molecular formula of ChemDiv1_013767 is C26H22BrN3O4S.
What is the molecular weight of ChemDiv1_013767?
The molecular weight of ChemDiv1_013767 is 551.05 g/mol.
Where can I buy ChemDiv1_013767?
You can request a quote for ChemDiv1_013767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013767?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.