3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate
TL;DR: 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate (CAS 85128-12-7) is a chemical compound with molecular formula C21H29N3O6 and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol;oxalic acid
Also Known As: 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate, 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolyloxy)-, oxalate, hydrate (1:1:5), 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol; oxalic acid, Oxalic acid--1-(tert-butylamino)-3-{2-[1-(1H-imidazol-1-yl)ethen-1-yl]-6-methylphenoxy}propan-2-ol (1/1), Oxalic acid--1-(tert-butylamino)-3-{2-[1-(1H-imidazol-1-yl)ethenyl]-6-methylphenoxy}propan-2-ol (1/1)
| Molecular Formula | C21H29N3O6 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 1.99392 |
| Topological Polar Surface Area | 133.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.20563 |
| Heavy Atoms | 30 |
| Complexity | 844.1218 |
Chemical Identifiers
| CAS Number | 85128-12-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=C)N2C=CN=C2)OCC(CNC(C)(C)C)O.C(=O)(C(=O)O)O |
Product Overview
3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate (CAS 85128-12-7), with molecular formula C21H29N3O6 and molecular weight 419.21 g/mol. IUPAC: 1-(tert-butylamino)-3-[2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]propan-2-ol;oxalic acid.
Chemical Property Profile of 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate
Property Insights of 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate
The XLogP value of 1.99392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate. The TPSA of 133.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate. Following Lipinski's Rule of Five, 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate 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-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate?
The CAS number of 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate is 85128-12-7.
What is the molecular formula of 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate?
The molecular formula of 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate is C21H29N3O6.
What is the molecular weight of 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate?
The molecular weight of 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate is 419.21 g/mol.
Where can I buy 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate?
You can request a quote for 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate 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-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)-o-tolylxy)-2-propanol oxalate hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.