ChemDiv1_013657
TL;DR: ChemDiv1_013657 (CAS 422288-25-3) is a chemical compound with molecular formula C26H31BrN4O2S and molecular weight 542.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Also Known As: ChemDiv1_013657, F3168-1861, N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide, N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide, N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide
| Molecular Formula | C26H31BrN4O2S |
|---|---|
| Molecular Weight | 542.14 g/mol |
| LogP | 5.16279 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.13513 |
| Heavy Atoms | 34 |
| Complexity | 1233.0194 |
Chemical Identifiers
| CAS Number | 422288-25-3 |
|---|---|
| SMILES | C1CN(CCC1NC(=O)CCCCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4 |
Product Overview
ChemDiv1_013657 (CAS 422288-25-3), with molecular formula C26H31BrN4O2S and molecular weight 542.14 g/mol. IUPAC: N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.
Chemical Property Profile of ChemDiv1_013657
Property Insights of ChemDiv1_013657
The XLogP value of 5.16279 indicates that ChemDiv1_013657 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_013657. Following Lipinski's Rule of Five, ChemDiv1_013657 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_013657?
The CAS number of ChemDiv1_013657 is 422288-25-3.
What is the molecular formula of ChemDiv1_013657?
The molecular formula of ChemDiv1_013657 is C26H31BrN4O2S.
What is the molecular weight of ChemDiv1_013657?
The molecular weight of ChemDiv1_013657 is 542.14 g/mol.
Where can I buy ChemDiv1_013657?
You can request a quote for ChemDiv1_013657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013657?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.