5R-1313
TL;DR: 5R-1313 (CAS 672950-71-9) is a chemical compound with molecular formula C22H22N4S2 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-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: 5R-1313, N-allyl-7,9-dimethyl-2-[(4-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine, 11,13-dimethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-N-(prop-2-en-1-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, 11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
| Molecular Formula | C22H22N4S2 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 6.05496 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1286 |
| Heavy Atoms | 28 |
| Complexity | 1163.0565 |
Chemical Identifiers
| CAS Number | 672950-71-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=N2)NCC=C)SC4=C3C(=CC(=N4)C)C |
Product Overview
5R-1313 (CAS 672950-71-9), with molecular formula C22H22N4S2 and molecular weight 406.13 g/mol. IUPAC: 11,13-dimethyl-4-[(4-methylphenyl)methylsulfanyl]-N-prop-2-enyl-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 5R-1313
Property Insights of 5R-1313
The XLogP value of 6.05496 indicates that 5R-1313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, 5R-1313 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5R-1313 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 5R-1313?
The CAS number of 5R-1313 is 672950-71-9.
What is the molecular formula of 5R-1313?
The molecular formula of 5R-1313 is C22H22N4S2.
What is the molecular weight of 5R-1313?
The molecular weight of 5R-1313 is 406.13 g/mol.
Where can I buy 5R-1313?
You can request a quote for 5R-1313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-1313?
Yes, KEHONG BIO provides custom synthesis services for 5R-1313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.