ChemDiv1_013605
TL;DR: ChemDiv1_013605 (CAS 422287-16-9) is a chemical compound with molecular formula C23H25BrN4O2S and molecular weight 500.09 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)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
Also Known As: ChemDiv1_013605, F3168-1785, 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide, 4-[(6-bromo-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
| Molecular Formula | C23H25BrN4O2S |
|---|---|
| Molecular Weight | 500.09 g/mol |
| LogP | 4.08559 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.08817 |
| Heavy Atoms | 31 |
| Complexity | 1196.9075 |
Chemical Identifiers
| CAS Number | 422287-16-9 |
|---|---|
| SMILES | C1CCN(C1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013605 (CAS 422287-16-9), with molecular formula C23H25BrN4O2S and molecular weight 500.09 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide.
Chemical Property Profile of ChemDiv1_013605
Property Insights of ChemDiv1_013605
The XLogP value of 4.08559 indicates that ChemDiv1_013605 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_013605. Following Lipinski's Rule of Five, ChemDiv1_013605 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_013605?
The CAS number of ChemDiv1_013605 is 422287-16-9.
What is the molecular formula of ChemDiv1_013605?
The molecular formula of ChemDiv1_013605 is C23H25BrN4O2S.
What is the molecular weight of ChemDiv1_013605?
The molecular weight of ChemDiv1_013605 is 500.09 g/mol.
Where can I buy ChemDiv1_013605?
You can request a quote for ChemDiv1_013605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013605?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.