3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine
TL;DR: 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine (CAS 860786-40-9) is a chemical compound with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cycloheptyl-6,7-dimethoxy-2-(2-methylpropylsulfanyl)quinazolin-4-imine
Also Known As: 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine, 3-cycloheptyl-6,7-dimethoxy-2-(2-methylpropylsulfanyl)quinazolin-4-imine, 12T-0262, 3-cycloheptyl-6,7-dimethoxy-2-[(2-methylpropyl)sulfanyl]-3,4-dihydroquinazolin-4-imine
| Molecular Formula | C21H31N3O2S |
|---|---|
| Molecular Weight | 389.21 g/mol |
| LogP | 5.17637 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.21368 |
| Heavy Atoms | 27 |
| Complexity | 839.4161 |
Chemical Identifiers
| CAS Number | 860786-40-9 |
|---|---|
| SMILES | CC(C)CSC1=NC2=CC(=C(C=C2C(=N)N1C3CCCCCC3)OC)OC |
Product Overview
3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine (CAS 860786-40-9), with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol. IUPAC: 3-cycloheptyl-6,7-dimethoxy-2-(2-methylpropylsulfanyl)quinazolin-4-imine.
Chemical Property Profile of 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine
Property Insights of 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine
The XLogP value of 5.17637 indicates that 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine. Following Lipinski's Rule of Five, 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine has 1 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 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
The CAS number of 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine is 860786-40-9.
What is the molecular formula of 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
The molecular formula of 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine is C21H31N3O2S.
What is the molecular weight of 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
The molecular weight of 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine is 389.21 g/mol.
Where can I buy 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
You can request a quote for 3-cycloheptyl-2-(isobutylsulfanyl)-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 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine?
Yes, KEHONG BIO provides custom synthesis services for 3-cycloheptyl-2-(isobutylsulfanyl)-6,7-dimethoxy-4(3H)-quinazolinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.