AB00683389-01
TL;DR: AB00683389-01 (CAS 422287-90-9) is a chemical compound with molecular formula C20H20BrN3O2S and molecular weight 445.05 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-[(4-methylphenyl)methyl]butanamide
Also Known As: AB00683389-01, F3168-1837, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(4-methylbenzyl)butanamide
| Molecular Formula | C20H20BrN3O2S |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 4.22661 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.04596 |
| Heavy Atoms | 27 |
| Complexity | 1087.0625 |
Chemical Identifiers
| CAS Number | 422287-90-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
AB00683389-01 (CAS 422287-90-9), with molecular formula C20H20BrN3O2S and molecular weight 445.05 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide.
Chemical Property Profile of AB00683389-01
Property Insights of AB00683389-01
The XLogP value of 4.22661 indicates that AB00683389-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00683389-01. Following Lipinski's Rule of Five, AB00683389-01 has 2 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 AB00683389-01?
The CAS number of AB00683389-01 is 422287-90-9.
What is the molecular formula of AB00683389-01?
The molecular formula of AB00683389-01 is C20H20BrN3O2S.
What is the molecular weight of AB00683389-01?
The molecular weight of AB00683389-01 is 445.05 g/mol.
Where can I buy AB00683389-01?
You can request a quote for AB00683389-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00683389-01?
Yes, KEHONG BIO provides custom synthesis services for AB00683389-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.