ChemDiv1_013613
TL;DR: ChemDiv1_013613 (CAS 422288-18-4) is a chemical compound with molecular formula C21H29BrN4O3S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)hexanamide
Also Known As: ChemDiv1_013613, VU0512580-1, F3168-1855, 6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[3-(morpholin-4-yl)propyl]hexanamide, 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)hexanamide
| Molecular Formula | C21H29BrN4O3S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 3.22049 |
| Topological Polar Surface Area | 79.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.11438 |
| Heavy Atoms | 30 |
| Complexity | 968.8583 |
Chemical Identifiers
| CAS Number | 422288-18-4 |
|---|---|
| SMILES | C1COCCN1CCCNC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
ChemDiv1_013613 (CAS 422288-18-4), with molecular formula C21H29BrN4O3S and molecular weight 496.11 g/mol. IUPAC: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)hexanamide.
Chemical Property Profile of ChemDiv1_013613
Property Insights of ChemDiv1_013613
The XLogP value of 3.22049 indicates that ChemDiv1_013613 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013613. Following Lipinski's Rule of Five, ChemDiv1_013613 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013613?
The CAS number of ChemDiv1_013613 is 422288-18-4.
What is the molecular formula of ChemDiv1_013613?
The molecular formula of ChemDiv1_013613 is C21H29BrN4O3S.
What is the molecular weight of ChemDiv1_013613?
The molecular weight of ChemDiv1_013613 is 496.11 g/mol.
Where can I buy ChemDiv1_013613?
You can request a quote for ChemDiv1_013613 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013613?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013613 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.