6R-1302
TL;DR: 6R-1302 (CAS 478065-65-5) is a chemical compound with molecular formula C18H13Cl2N3S2 and molecular weight 404.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-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-1302, 4-chloro-2-[(4-chlorobenzyl)sulfanyl]-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 6-chloro-4-{[(4-chlorophenyl)methyl]sulfanyl}-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 6-chloro-4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C18H13Cl2N3S2 |
|---|---|
| Molecular Weight | 404.99 g/mol |
| LogP | 6.45544 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.9928 |
| Heavy Atoms | 25 |
| Complexity | 1091.318 |
Chemical Identifiers
| CAS Number | 478065-65-5 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=NC(=N3)SCC4=CC=C(C=C4)Cl)Cl)C |
Product Overview
6R-1302 (CAS 478065-65-5), with molecular formula C18H13Cl2N3S2 and molecular weight 404.99 g/mol. IUPAC: 6-chloro-4-[(4-chlorophenyl)methylsulfanyl]-11,13-dimethyl-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-1302
Property Insights of 6R-1302
The XLogP value of 6.45544 indicates that 6R-1302 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-1302 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6R-1302 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 6R-1302?
The CAS number of 6R-1302 is 478065-65-5.
What is the molecular formula of 6R-1302?
The molecular formula of 6R-1302 is C18H13Cl2N3S2.
What is the molecular weight of 6R-1302?
The molecular weight of 6R-1302 is 404.99 g/mol.
Where can I buy 6R-1302?
You can request a quote for 6R-1302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6R-1302?
Yes, KEHONG BIO provides custom synthesis services for 6R-1302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.