3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate
TL;DR: 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate (CAS 85128-01-4) is a chemical compound with molecular formula C18H24N4O6 and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1-(propan-2-ylamino)-3-[2-[1-(1,2,4-triazol-1-yl)ethenyl]phenoxy]propan-2-ol
Also Known As: 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate, 2-Propanol, 3-(isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-, oxalate, Oxalic acid--1-[(propan-2-yl)amino]-3-{2-[1-(1H-1,2,4-triazol-1-yl)ethen-1-yl]phenoxy}propan-2-ol (1/1), Oxalic acid--1-[(propan-2-yl)amino]-3-{2-[1-(1H-1,2,4-triazol-1-yl)ethenyl]phenoxy}propan-2-ol (1/1), oxalic acid; 1-(propan-2-ylamino)-3-[2-[1-(1,2,4-triazol-1-yl)ethenyl]phenoxy]propan-2-ol
| Molecular Formula | C18H24N4O6 |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 0.6904 |
| Topological Polar Surface Area | 146.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.1696 |
| Heavy Atoms | 28 |
| Complexity | 764.1428 |
Chemical Identifiers
| CAS Number | 85128-01-4 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC=C1C(=C)N2C=NC=N2)O.C(=O)(C(=O)O)O |
Product Overview
3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate (CAS 85128-01-4), with molecular formula C18H24N4O6 and molecular weight 392.17 g/mol. IUPAC: oxalic acid;1-(propan-2-ylamino)-3-[2-[1-(1,2,4-triazol-1-yl)ethenyl]phenoxy]propan-2-ol.
Chemical Property Profile of 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate
Property Insights of 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate
The XLogP value of 0.6904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate. The TPSA of 146.8 Ų indicates high polarity, suggesting 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate has 4 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 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
The CAS number of 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate is 85128-01-4.
What is the molecular formula of 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
The molecular formula of 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate is C18H24N4O6.
What is the molecular weight of 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
The molecular weight of 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate is 392.17 g/mol.
Where can I buy 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
You can request a quote for 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isopropylamino)-1-(6-(1-(1H-1,2,4-triazol-1-yl)vinyl)phenoxy)-2-propanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.