![N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine structure](/static/products/6883/688355-95-5.webp)
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine
TL;DR: N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine (CAS 688355-95-5) is a chemical compound with molecular formula C22H16ClN3O2S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine
Also Known As: BRD-K39291361-001-01-6, BRD-K39291361-001-02-4, F6548-4647, N-(2H-1,3-benzodioxol-5-yl)-2-{[(4-chlorophenyl)methyl]sulfanyl}quinazolin-4-amine, N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine
| Molecular Formula | C22H16ClN3O2S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 6.0478 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.0652 |
| Heavy Atoms | 29 |
| Complexity | 1184.5112 |
Chemical Identifiers
| CAS Number | 688355-95-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC5=CC=C(C=C5)Cl |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine (CAS 688355-95-5), with molecular formula C22H16ClN3O2S and molecular weight 421.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine
Property Insights of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine
The XLogP value of 6.0478 indicates that N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine is 688355-95-5.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine is C22H16ClN3O2S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine is 421.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.