9R-0386
TL;DR: 9R-0386 (CAS 439121-06-9) is a chemical compound with molecular formula C26H23ClF3N3O3S and molecular weight 549.11 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-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine
Also Known As: 9R-0386, 3-(3-chloro-4-methoxybenzyl)-6,7-dimethoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-quinazolinimine, 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-imine, 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine
| Molecular Formula | C26H23ClF3N3O3S |
|---|---|
| Molecular Weight | 549.11 g/mol |
| LogP | 6.55437 |
| Topological Polar Surface Area | 69.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.11005 |
| Heavy Atoms | 37 |
| Complexity | 1508.6506 |
Chemical Identifiers
| CAS Number | 439121-06-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C(=N)C3=CC(=C(C=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F)OC)OC)Cl |
Product Overview
9R-0386 (CAS 439121-06-9), with molecular formula C26H23ClF3N3O3S and molecular weight 549.11 g/mol. IUPAC: 3-[(3-chloro-4-methoxyphenyl)methyl]-6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-imine.
Chemical Property Profile of 9R-0386
Property Insights of 9R-0386
The XLogP value of 6.55437 indicates that 9R-0386 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 9R-0386. Following Lipinski's Rule of Five, 9R-0386 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 9R-0386?
The CAS number of 9R-0386 is 439121-06-9.
What is the molecular formula of 9R-0386?
The molecular formula of 9R-0386 is C26H23ClF3N3O3S.
What is the molecular weight of 9R-0386?
The molecular weight of 9R-0386 is 549.11 g/mol.
Where can I buy 9R-0386?
You can request a quote for 9R-0386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-0386?
Yes, KEHONG BIO provides custom synthesis services for 9R-0386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.