4R-1314
TL;DR: 4R-1314 (CAS 439108-49-3) is a chemical compound with molecular formula C23H24N4OS2 and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[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-hexaen-6-yl]morpholine
Also Known As: 4R-1314, 7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]-4-morpholinopyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-6-(morpholin-4-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 4-[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-hexaen-6-yl]morpholine
| Molecular Formula | C23H24N4OS2 |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 5.29366 |
| Topological Polar Surface Area | 51.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.13916 |
| Heavy Atoms | 30 |
| Complexity | 1213.8092 |
Chemical Identifiers
| CAS Number | 439108-49-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N4CCOCC4)SC5=C3C(=CC(=N5)C)C |
Product Overview
4R-1314 (CAS 439108-49-3), with molecular formula C23H24N4OS2 and molecular weight 436.14 g/mol. IUPAC: 4-[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-hexaen-6-yl]morpholine.
Chemical Property Profile of 4R-1314
Property Insights of 4R-1314
The XLogP value of 5.29366 indicates that 4R-1314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.14 Ų, 4R-1314 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4R-1314 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4R-1314?
The CAS number of 4R-1314 is 439108-49-3.
What is the molecular formula of 4R-1314?
The molecular formula of 4R-1314 is C23H24N4OS2.
What is the molecular weight of 4R-1314?
The molecular weight of 4R-1314 is 436.14 g/mol.
Where can I buy 4R-1314?
You can request a quote for 4R-1314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4R-1314?
Yes, KEHONG BIO provides custom synthesis services for 4R-1314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.