ChemDiv1_013523
TL;DR: ChemDiv1_013523 (CAS 422287-83-0) is a chemical compound with molecular formula C24H27BrN4O2S and molecular weight 514.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylpiperidin-4-yl)-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide
Also Known As: ChemDiv1_013523, F3168-1830, N-(1-benzylpiperidin-4-yl)-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide, N-(1-benzylpiperidin-4-yl)-4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide, N-(1-benzylpiperidin-4-yl)-4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamide
| Molecular Formula | C24H27BrN4O2S |
|---|---|
| Molecular Weight | 514.10 g/mol |
| LogP | 4.38259 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.1038 |
| Heavy Atoms | 32 |
| Complexity | 1200.0851 |
Chemical Identifiers
| CAS Number | 422287-83-0 |
|---|---|
| SMILES | C1CN(CCC1NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4 |
Product Overview
ChemDiv1_013523 (CAS 422287-83-0), with molecular formula C24H27BrN4O2S and molecular weight 514.10 g/mol. IUPAC: N-(1-benzylpiperidin-4-yl)-4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide.
Chemical Property Profile of ChemDiv1_013523
Property Insights of ChemDiv1_013523
The XLogP value of 4.38259 indicates that ChemDiv1_013523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013523. Following Lipinski's Rule of Five, ChemDiv1_013523 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013523?
The CAS number of ChemDiv1_013523 is 422287-83-0.
What is the molecular formula of ChemDiv1_013523?
The molecular formula of ChemDiv1_013523 is C24H27BrN4O2S.
What is the molecular weight of ChemDiv1_013523?
The molecular weight of ChemDiv1_013523 is 514.10 g/mol.
Where can I buy ChemDiv1_013523?
You can request a quote for ChemDiv1_013523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013523?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.