2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine
TL;DR: 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine (CAS 477848-72-9) is a chemical compound with molecular formula C25H24ClN3O3S and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-imine
Also Known As: 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine, 2-benzylsulfanyl-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-imine, 2-(benzylsulfanyl)-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine, 2-(Benzylsulfanyl)-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4(3H)-imine, 3-[(3-Chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(phenylmethyl)thio]-4(3H)-quinazolinimine
| Molecular Formula | C25H24ClN3O3S |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 5.53557 |
| Topological Polar Surface Area | 69.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.12268 |
| Heavy Atoms | 33 |
| Complexity | 1342.5515 |
Chemical Identifiers
| CAS Number | 477848-72-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4=CC=CC=C4)OC)OC)Cl |
Product Overview
2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine (CAS 477848-72-9), with molecular formula C25H24ClN3O3S and molecular weight 481.12 g/mol. IUPAC: 2-benzylsulfanyl-3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxyquinazolin-4-imine.
Chemical Property Profile of 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine
Property Insights of 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine
The XLogP value of 5.53557 indicates that 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine 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 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
The CAS number of 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine is 477848-72-9.
What is the molecular formula of 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
The molecular formula of 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine is C25H24ClN3O3S.
What is the molecular weight of 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
The molecular weight of 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine is 481.12 g/mol.
Where can I buy 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
You can request a quote for 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-4(3H)-quinazolinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.