R 836
TL;DR: R 836 (CAS 94415-03-9) is a chemical compound with molecular formula C13H19N5S and molecular weight 277.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)thiomorpholine
Also Known As: (1,2,4)Triazolo(1,5-c)pyrimidine, 2,5-diethyl-7-(4-thiomorpholinyl)-, 2,5-Diethyl-7-(4-thiomorpholino)-1,2,4-triazolo(1,5-c)pyrimidine, 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)thiomorpholine, 2,5-Diethyl-7-(4-thiomorpholinyl)[1,2,4]triazolo[1,5-c]pyrimidine, 2,5-Diethyl-7-(thiomorpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C13H19N5S |
|---|---|
| Molecular Weight | 277.14 g/mol |
| LogP | 1.8023 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1361 |
| Heavy Atoms | 19 |
| Complexity | 573.6624 |
Chemical Identifiers
| CAS Number | 94415-03-9 |
|---|---|
| SMILES | CCC1=NN2C(=N1)C=C(N=C2CC)N3CCSCC3 |
Product Overview
R 836 (CAS 94415-03-9), with molecular formula C13H19N5S and molecular weight 277.14 g/mol. IUPAC: 4-(2,5-diethyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)thiomorpholine.
Chemical Property Profile of R 836
Property Insights of R 836
The XLogP value of 1.8023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for R 836. With a topological polar surface area (TPSA) of 46.32 Ų, R 836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, R 836 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of R 836?
The CAS number of R 836 is 94415-03-9.
What is the molecular formula of R 836?
The molecular formula of R 836 is C13H19N5S.
What is the molecular weight of R 836?
The molecular weight of R 836 is 277.14 g/mol.
Where can I buy R 836?
You can request a quote for R 836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R 836?
Yes, KEHONG BIO provides custom synthesis services for R 836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.