6R-1321
TL;DR: 6R-1321 (CAS 439111-35-0) is a chemical compound with molecular formula C26H19ClF3N3S3 and molecular weight 561.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Also Known As: 6R-1321, 4-chlorobenzyl 7,9-dimethyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl sulfide, 4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C26H19ClF3N3S3 |
|---|---|
| Molecular Weight | 561.04 g/mol |
| LogP | 9.11314 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 561.03815 |
| Heavy Atoms | 36 |
| Complexity | 1566.8522 |
Chemical Identifiers
| CAS Number | 439111-35-0 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=NC(=N3)SCC4=CC=C(C=C4)Cl)SCC5=CC(=CC=C5)C(F)(F)F)C |
Product Overview
6R-1321 (CAS 439111-35-0), with molecular formula C26H19ClF3N3S3 and molecular weight 561.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
Chemical Property Profile of 6R-1321
Property Insights of 6R-1321
The XLogP value of 9.11314 indicates that 6R-1321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 6R-1321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6R-1321 has 0 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 6R-1321?
The CAS number of 6R-1321 is 439111-35-0.
What is the molecular formula of 6R-1321?
The molecular formula of 6R-1321 is C26H19ClF3N3S3.
What is the molecular weight of 6R-1321?
The molecular weight of 6R-1321 is 561.04 g/mol.
Where can I buy 6R-1321?
You can request a quote for 6R-1321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6R-1321?
Yes, KEHONG BIO provides custom synthesis services for 6R-1321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.