6R-1318
TL;DR: 6R-1318 (CAS 478065-75-7) is a chemical compound with molecular formula C21H21ClN4S2 and molecular weight 428.09 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-N-propan-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
Also Known As: 6R-1318, N-{2-[(4-chlorobenzyl)sulfanyl]-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl}-N-isopropylamine, 4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-N-propan-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine, 4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-N-(propan-2-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine
| Molecular Formula | C21H21ClN4S2 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 6.62234 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.08963 |
| Heavy Atoms | 28 |
| Complexity | 1152.9578 |
Chemical Identifiers
| CAS Number | 478065-75-7 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=NC(=N3)SCC4=CC=C(C=C4)Cl)NC(C)C)C |
Product Overview
6R-1318 (CAS 478065-75-7), with molecular formula C21H21ClN4S2 and molecular weight 428.09 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-N-propan-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine.
Chemical Property Profile of 6R-1318
Property Insights of 6R-1318
The XLogP value of 6.62234 indicates that 6R-1318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, 6R-1318 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6R-1318 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 6R-1318?
The CAS number of 6R-1318 is 478065-75-7.
What is the molecular formula of 6R-1318?
The molecular formula of 6R-1318 is C21H21ClN4S2.
What is the molecular weight of 6R-1318?
The molecular weight of 6R-1318 is 428.09 g/mol.
Where can I buy 6R-1318?
You can request a quote for 6R-1318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6R-1318?
Yes, KEHONG BIO provides custom synthesis services for 6R-1318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.