![4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine structure](/static/products/3473/347311-44-8.webp)
4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine
TL;DR: 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine (CAS 347311-44-8) is a chemical compound with molecular formula C13H15N5O3S and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine
Also Known As: BAS 02252813, BIM-0003046.P001, 4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine, 4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}morpholine, 2-(4-methyl(1,2,4-triazol-3-ylthio))-4-morpholin-4-yl-1-nitrobenzene
| Molecular Formula | C13H15N5O3S |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 1.7111 |
| Topological Polar Surface Area | 86.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.08957 |
| Heavy Atoms | 22 |
| Complexity | 684.0651 |
Chemical Identifiers
| CAS Number | 347311-44-8 |
|---|---|
| SMILES | CN1C=NN=C1SC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-] |
Product Overview
4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine (CAS 347311-44-8), with molecular formula C13H15N5O3S and molecular weight 321.09 g/mol. IUPAC: 4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine.
Chemical Property Profile of 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine
Property Insights of 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine
The XLogP value of 1.7111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine. The TPSA of 86.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine. Following Lipinski's Rule of Five, 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine has 0 hydrogen bond donor(s) and 7 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 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine?
The CAS number of 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine is 347311-44-8.
What is the molecular formula of 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine?
The molecular formula of 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine is C13H15N5O3S.
What is the molecular weight of 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine?
The molecular weight of 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine is 321.09 g/mol.
Where can I buy 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine?
You can request a quote for 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-[(4-Methyl-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl]morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.