![3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol structure](/static/products/6887/688794-29-8.webp)
3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol
TL;DR: 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol (CAS 688794-29-8) is a chemical compound with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol
Also Known As: F0918-7202, 3-{[4-nitro-7-(propan-2-ylsulfanyl)-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol, 3-((7-(isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol, 3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol, 3-[7-(isopropylthio)-4-nitro-2,1,3-benzofurazan-5-ylamino]-1-propanol
| Molecular Formula | C12H16N4O4S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 2.4258 |
| Topological Polar Surface Area | 114.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.08923 |
| Heavy Atoms | 21 |
| Complexity | 643.4643 |
Chemical Identifiers
| CAS Number | 688794-29-8 |
|---|---|
| SMILES | CC(C)SC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCO |
Product Overview
3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol (CAS 688794-29-8), with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol. IUPAC: 3-[(4-nitro-7-propan-2-ylsulfanyl-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol.
Chemical Property Profile of 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol
Property Insights of 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol
The XLogP value of 2.4258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol. The TPSA of 114.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol. Following Lipinski's Rule of Five, 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol has 2 hydrogen bond donor(s) and 8 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 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol?
The CAS number of 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol is 688794-29-8.
What is the molecular formula of 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol?
The molecular formula of 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol is C12H16N4O4S.
What is the molecular weight of 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol?
The molecular weight of 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol is 312.09 g/mol.
Where can I buy 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol?
You can request a quote for 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-((7-(Isopropylthio)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.