3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate
TL;DR: 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate (CAS 85128-06-9) is a chemical compound with molecular formula C20H26ClN3O6 and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol;oxalic acid
Also Known As: 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate, 2-Propanol, 3-(tert-butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-, oxalate, 1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol; oxalic acid, Oxalic acid--1-(tert-butylamino)-3-{4-chloro-2-[1-(1H-pyrazol-1-yl)ethen-1-yl]phenoxy}propan-2-ol (1/1), Oxalic acid--1-(tert-butylamino)-3-{4-chloro-2-[1-(1H-pyrazol-1-yl)ethenyl]phenoxy}propan-2-ol (1/1)
| Molecular Formula | C20H26ClN3O6 |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 2.3389 |
| Topological Polar Surface Area | 133.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.151 |
| Heavy Atoms | 30 |
| Complexity | 849.92194 |
Chemical Identifiers
| CAS Number | 85128-06-9 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=C(C=C(C=C1)Cl)C(=C)N2C=CC=N2)O.C(=O)(C(=O)O)O |
Product Overview
3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate (CAS 85128-06-9), with molecular formula C20H26ClN3O6 and molecular weight 439.15 g/mol. IUPAC: 1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol;oxalic acid.
Chemical Property Profile of 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate
Property Insights of 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate
The XLogP value of 2.3389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate. The TPSA of 133.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate. Following Lipinski's Rule of Five, 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate has 4 hydrogen bond donor(s) and 6 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-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
The CAS number of 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate is 85128-06-9.
What is the molecular formula of 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
The molecular formula of 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate is C20H26ClN3O6.
What is the molecular weight of 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
The molecular weight of 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate is 439.15 g/mol.
Where can I buy 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
You can request a quote for 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-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-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butylamino)-1-(4-chloro-6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-2-propanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.