6R-1313
TL;DR: 6R-1313 (CAS 478065-72-4) is a chemical compound with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-ethylsulfanyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)oxy]benzoate
Also Known As: 6R-1313, methyl 2-{[2-(ethylsulfanyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl]oxy}benzenecarboxylate, methyl 2-[(4-ethylsulfanyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)oxy]benzoate, methyl 2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate, methyl2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate
| Molecular Formula | C21H19N3O3S2 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 5.54724 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.0868 |
| Heavy Atoms | 29 |
| Complexity | 1237.0273 |
Chemical Identifiers
| CAS Number | 478065-72-4 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=N1)OC3=CC=CC=C3C(=O)OC)SC4=C2C(=CC(=N4)C)C |
Product Overview
6R-1313 (CAS 478065-72-4), with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol. IUPAC: methyl 2-[(4-ethylsulfanyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)oxy]benzoate.
Chemical Property Profile of 6R-1313
Property Insights of 6R-1313
The XLogP value of 5.54724 indicates that 6R-1313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6R-1313. Following Lipinski's Rule of Five, 6R-1313 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6R-1313?
The CAS number of 6R-1313 is 478065-72-4.
What is the molecular formula of 6R-1313?
The molecular formula of 6R-1313 is C21H19N3O3S2.
What is the molecular weight of 6R-1313?
The molecular weight of 6R-1313 is 425.09 g/mol.
Where can I buy 6R-1313?
You can request a quote for 6R-1313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6R-1313?
Yes, KEHONG BIO provides custom synthesis services for 6R-1313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.