ChemDiv1_013701
TL;DR: ChemDiv1_013701 (CAS 422288-30-0) is a chemical compound with molecular formula C22H22BrN3O4S and molecular weight 503.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
Also Known As: ChemDiv1_013701, F3168-1866, N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-6-(6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)hexanamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)hexanamide
| Molecular Formula | C22H22BrN3O4S |
|---|---|
| Molecular Weight | 503.05 g/mol |
| LogP | 4.42709 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.05145 |
| Heavy Atoms | 31 |
| Complexity | 1237.6337 |
Chemical Identifiers
| CAS Number | 422288-30-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013701 (CAS 422288-30-0), with molecular formula C22H22BrN3O4S and molecular weight 503.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide.
Chemical Property Profile of ChemDiv1_013701
Property Insights of ChemDiv1_013701
The XLogP value of 4.42709 indicates that ChemDiv1_013701 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_013701. Following Lipinski's Rule of Five, ChemDiv1_013701 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_013701?
The CAS number of ChemDiv1_013701 is 422288-30-0.
What is the molecular formula of ChemDiv1_013701?
The molecular formula of ChemDiv1_013701 is C22H22BrN3O4S.
What is the molecular weight of ChemDiv1_013701?
The molecular weight of ChemDiv1_013701 is 503.05 g/mol.
Where can I buy ChemDiv1_013701?
You can request a quote for ChemDiv1_013701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013701?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.