![3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine structure](/static/products/4782/478249-80-8.webp)
3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine
TL;DR: 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine (CAS 478249-80-8) is a chemical compound with molecular formula C26H26ClN3O3S and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-imine
Also Known As: 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine, 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-imine, 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-imine, 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4-imine
| Molecular Formula | C26H26ClN3O3S |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 5.84399 |
| Topological Polar Surface Area | 69.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.13834 |
| Heavy Atoms | 34 |
| Complexity | 1404.433 |
Chemical Identifiers
| CAS Number | 478249-80-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC3=CC(=C(C=C3C(=N)N2CC4=CC(=C(C=C4)OC)Cl)OC)OC |
Product Overview
3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine (CAS 478249-80-8), with molecular formula C26H26ClN3O3S and molecular weight 495.14 g/mol. IUPAC: 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-imine.
Chemical Property Profile of 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine
Property Insights of 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine
The XLogP value of 5.84399 indicates that 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-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 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine. Following Lipinski's Rule of Five, 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-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 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine?
The CAS number of 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine is 478249-80-8.
What is the molecular formula of 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine?
The molecular formula of 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine is C26H26ClN3O3S.
What is the molecular weight of 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine?
The molecular weight of 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine is 495.14 g/mol.
Where can I buy 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine?
You can request a quote for 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-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 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.