ChemDiv1_014141
TL;DR: ChemDiv1_014141 (CAS 896698-35-4) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-butyl-N-methylacetamide
Also Known As: ChemDiv1_014141, F6548-4694, 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-butyl-N-methylacetamide, 2-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]-N-butyl-N-methylacetamide, 2-((4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)quinazolin-2-yl)thio)-N-butyl-N-methylacetamide
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 4.3212 |
| Topological Polar Surface Area | 76.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 1075.871 |
Chemical Identifiers
| CAS Number | 896698-35-4 |
|---|---|
| SMILES | CCCCN(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
ChemDiv1_014141 (CAS 896698-35-4), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-N-butyl-N-methylacetamide.
Chemical Property Profile of ChemDiv1_014141
Property Insights of ChemDiv1_014141
The XLogP value of 4.3212 indicates that ChemDiv1_014141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014141. Following Lipinski's Rule of Five, ChemDiv1_014141 has 1 hydrogen bond donor(s) and 7 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_014141?
The CAS number of ChemDiv1_014141 is 896698-35-4.
What is the molecular formula of ChemDiv1_014141?
The molecular formula of ChemDiv1_014141 is C23H26N4O3S.
What is the molecular weight of ChemDiv1_014141?
The molecular weight of ChemDiv1_014141 is 438.17 g/mol.
Where can I buy ChemDiv1_014141?
You can request a quote for ChemDiv1_014141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014141?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.