ChemDiv1_013567
TL;DR: ChemDiv1_013567 (CAS 422287-95-4) is a chemical compound with molecular formula C22H24BrN3O4S and molecular weight 505.07 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-(3,4-dimethoxyphenyl)ethyl]butanamide
Also Known As: ChemDiv1_013567, F3168-1842, 4-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide, 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide, 4-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3,4-dimethoxyphenethyl)butanamide
| Molecular Formula | C22H24BrN3O4S |
|---|---|
| Molecular Weight | 505.07 g/mol |
| LogP | 3.97789 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.06708 |
| Heavy Atoms | 31 |
| Complexity | 1205.5608 |
Chemical Identifiers
| CAS Number | 422287-95-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)OC |
Product Overview
ChemDiv1_013567 (CAS 422287-95-4), with molecular formula C22H24BrN3O4S and molecular weight 505.07 g/mol. IUPAC: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide.
Chemical Property Profile of ChemDiv1_013567
Property Insights of ChemDiv1_013567
The XLogP value of 3.97789 indicates that ChemDiv1_013567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013567. Following Lipinski's Rule of Five, ChemDiv1_013567 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013567?
The CAS number of ChemDiv1_013567 is 422287-95-4.
What is the molecular formula of ChemDiv1_013567?
The molecular formula of ChemDiv1_013567 is C22H24BrN3O4S.
What is the molecular weight of ChemDiv1_013567?
The molecular weight of ChemDiv1_013567 is 505.07 g/mol.
Where can I buy ChemDiv1_013567?
You can request a quote for ChemDiv1_013567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013567?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.