5R-1316
TL;DR: 5R-1316 (CAS 672950-74-2) is a chemical compound with molecular formula C26H22ClN3S3 and molecular weight 507.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-4-[(4-methylphenyl)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: 5R-1316, 4-chlorobenzyl 7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl sulfide, 6-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 6-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C26H22ClN3S3 |
|---|---|
| Molecular Weight | 507.07 g/mol |
| LogP | 8.40276 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.06644 |
| Heavy Atoms | 33 |
| Complexity | 1444.7019 |
Chemical Identifiers
| CAS Number | 672950-74-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)SCC4=CC=C(C=C4)Cl)SC5=C3C(=CC(=N5)C)C |
Product Overview
5R-1316 (CAS 672950-74-2), with molecular formula C26H22ClN3S3 and molecular weight 507.07 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-4-[(4-methylphenyl)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 5R-1316
Property Insights of 5R-1316
The XLogP value of 8.40276 indicates that 5R-1316 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 5R-1316 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5R-1316 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 5R-1316?
The CAS number of 5R-1316 is 672950-74-2.
What is the molecular formula of 5R-1316?
The molecular formula of 5R-1316 is C26H22ClN3S3.
What is the molecular weight of 5R-1316?
The molecular weight of 5R-1316 is 507.07 g/mol.
Where can I buy 5R-1316?
You can request a quote for 5R-1316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-1316?
Yes, KEHONG BIO provides custom synthesis services for 5R-1316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.