5R-1321
TL;DR: 5R-1321 (CAS 672950-77-5) is a chemical compound with molecular formula C21H19N3OS3 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methoxyphenyl)sulfanyl-11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Also Known As: 5R-1321, 2-(allylsulfanyl)-4-[(3-methoxyphenyl)sulfanyl]-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 6-[(3-methoxyphenyl)sulfanyl]-11,13-dimethyl-4-(prop-2-en-1-ylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene, 6-(3-methoxyphenyl)sulfanyl-11,13-dimethyl-4-prop-2-enylsulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C21H19N3OS3 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 6.29424 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.06903 |
| Heavy Atoms | 28 |
| Complexity | 1186.6655 |
Chemical Identifiers
| CAS Number | 672950-77-5 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=NC(=N3)SCC=C)SC4=CC=CC(=C4)OC)C |
Product Overview
5R-1321 (CAS 672950-77-5), with molecular formula C21H19N3OS3 and molecular weight 425.07 g/mol. IUPAC: 6-(3-methoxyphenyl)sulfanyl-11,13-dimethyl-4-prop-2-enylsulfanyl-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 5R-1321
Property Insights of 5R-1321
The XLogP value of 6.29424 indicates that 5R-1321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 5R-1321 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5R-1321 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 5R-1321?
The CAS number of 5R-1321 is 672950-77-5.
What is the molecular formula of 5R-1321?
The molecular formula of 5R-1321 is C21H19N3OS3.
What is the molecular weight of 5R-1321?
The molecular weight of 5R-1321 is 425.07 g/mol.
Where can I buy 5R-1321?
You can request a quote for 5R-1321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-1321?
Yes, KEHONG BIO provides custom synthesis services for 5R-1321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.