ChemDiv1_013611
TL;DR: ChemDiv1_013611 (CAS 422287-96-5) is a chemical compound with molecular formula C22H21BrN4O2S and molecular weight 484.06 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-[2-(1H-indol-3-yl)ethyl]butanamide
Also Known As: ChemDiv1_013611, F0921-6760, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide, N-(2-(1H-indol-3-yl)ethyl)-4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)butanamide, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide
| Molecular Formula | C22H21BrN4O2S |
|---|---|
| Molecular Weight | 484.06 g/mol |
| LogP | 4.44199 |
| Topological Polar Surface Area | 82.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.05685 |
| Heavy Atoms | 30 |
| Complexity | 1338.4716 |
Chemical Identifiers
| CAS Number | 422287-96-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013611 (CAS 422287-96-5), with molecular formula C22H21BrN4O2S and molecular weight 484.06 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide.
Chemical Property Profile of ChemDiv1_013611
Property Insights of ChemDiv1_013611
The XLogP value of 4.44199 indicates that ChemDiv1_013611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013611. Following Lipinski's Rule of Five, ChemDiv1_013611 has 3 hydrogen bond donor(s) and 3 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_013611?
The CAS number of ChemDiv1_013611 is 422287-96-5.
What is the molecular formula of ChemDiv1_013611?
The molecular formula of ChemDiv1_013611 is C22H21BrN4O2S.
What is the molecular weight of ChemDiv1_013611?
The molecular weight of ChemDiv1_013611 is 484.06 g/mol.
Where can I buy ChemDiv1_013611?
You can request a quote for ChemDiv1_013611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013611?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.