2R-1335
TL;DR: 2R-1335 (CAS 478030-04-5) is a chemical compound with molecular formula C26H19F3N2S3 and molecular weight 512.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)methylsulfanyl]-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine
Also Known As: 2R-1335, 4-methylbenzyl 4-{[3-(trifluoromethyl)benzyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-2-yl sulfide, 2-[(4-methylphenyl)methylsulfanyl]-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine, 4-{[(4-methylphenyl)methyl]sulfanyl}-6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
| Molecular Formula | C26H19F3N2S3 |
|---|---|
| Molecular Weight | 512.07 g/mol |
| LogP | 8.75632 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.0662 |
| Heavy Atoms | 34 |
| Complexity | 1460.4606 |
Chemical Identifiers
| CAS Number | 478030-04-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)SCC4=CC(=CC=C4)C(F)(F)F)SC5=CC=CC=C53 |
Product Overview
2R-1335 (CAS 478030-04-5), with molecular formula C26H19F3N2S3 and molecular weight 512.07 g/mol. IUPAC: 2-[(4-methylphenyl)methylsulfanyl]-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1]benzothiolo[3,2-d]pyrimidine.
Chemical Property Profile of 2R-1335
Property Insights of 2R-1335
The XLogP value of 8.75632 indicates that 2R-1335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2R-1335 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2R-1335 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 2R-1335?
The CAS number of 2R-1335 is 478030-04-5.
What is the molecular formula of 2R-1335?
The molecular formula of 2R-1335 is C26H19F3N2S3.
What is the molecular weight of 2R-1335?
The molecular weight of 2R-1335 is 512.07 g/mol.
Where can I buy 2R-1335?
You can request a quote for 2R-1335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-1335?
Yes, KEHONG BIO provides custom synthesis services for 2R-1335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.