1R-1317
TL;DR: 1R-1317 (CAS 477872-84-7) is a chemical compound with molecular formula C18H11F3N2S3 and molecular weight 408.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-[1]benzothiolo[3,2-d]pyrimidine
Also Known As: 1R-1317, 2-(methylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidine, 2-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-[1]benzothiolo[3,2-d]pyrimidine, 4-(methylsulfanyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C18H11F3N2S3 |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 6.7364 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.00363 |
| Heavy Atoms | 26 |
| Complexity | 1105.9282 |
Chemical Identifiers
| CAS Number | 477872-84-7 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)SC3=CC=CC(=C3)C(F)(F)F)SC4=CC=CC=C42 |
Product Overview
1R-1317 (CAS 477872-84-7), with molecular formula C18H11F3N2S3 and molecular weight 408.00 g/mol. IUPAC: 2-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-[1]benzothiolo[3,2-d]pyrimidine.
Chemical Property Profile of 1R-1317
Property Insights of 1R-1317
The XLogP value of 6.7364 indicates that 1R-1317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 1R-1317 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1R-1317 has 0 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 1R-1317?
The CAS number of 1R-1317 is 477872-84-7.
What is the molecular formula of 1R-1317?
The molecular formula of 1R-1317 is C18H11F3N2S3.
What is the molecular weight of 1R-1317?
The molecular weight of 1R-1317 is 408.00 g/mol.
Where can I buy 1R-1317?
You can request a quote for 1R-1317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1R-1317?
Yes, KEHONG BIO provides custom synthesis services for 1R-1317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.