ChemDiv1_013697
TL;DR: ChemDiv1_013697 (CAS 422287-77-2) is a chemical compound with molecular formula C25H29BrClN5O2S and molecular weight 577.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide
Also Known As: ChemDiv1_013697, F3168-1827, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}butanamide, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)butanamide
| Molecular Formula | C25H29BrClN5O2S |
|---|---|
| Molecular Weight | 577.09 g/mol |
| LogP | 4.58369 |
| Topological Polar Surface Area | 73.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 577.0914 |
| Heavy Atoms | 35 |
| Complexity | 1302.9922 |
Chemical Identifiers
| CAS Number | 422287-77-2 |
|---|---|
| SMILES | C1CN(CCN1CCCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C4=CC(=CC=C4)Cl |
Product Overview
ChemDiv1_013697 (CAS 422287-77-2), with molecular formula C25H29BrClN5O2S and molecular weight 577.09 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide.
Chemical Property Profile of ChemDiv1_013697
Property Insights of ChemDiv1_013697
The XLogP value of 4.58369 indicates that ChemDiv1_013697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013697. Following Lipinski's Rule of Five, ChemDiv1_013697 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013697?
The CAS number of ChemDiv1_013697 is 422287-77-2.
What is the molecular formula of ChemDiv1_013697?
The molecular formula of ChemDiv1_013697 is C25H29BrClN5O2S.
What is the molecular weight of ChemDiv1_013697?
The molecular weight of ChemDiv1_013697 is 577.09 g/mol.
Where can I buy ChemDiv1_013697?
You can request a quote for ChemDiv1_013697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013697?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.