VU0494065-1
TL;DR: VU0494065-1 (CAS 1049786-41-5) is a chemical compound with molecular formula C21H35ClN2O5 and molecular weight 430.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
Also Known As: VU0494065-1, ethyl 4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylate hydrochloride, ethyl 4-(3-(2-(tert-butyl)-4-methoxyphenoxy)-2-hydroxypropyl)piperazine-1-carboxylate hydrochloride, Ethyl 4-[2-hydroxy-3-(4-methoxy-2-tert-butyl-phenoxy)propyl]piperazine-1-carboxylate Hydrochloride, ethyl 4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride
| Molecular Formula | C21H35ClN2O5 |
|---|---|
| Molecular Weight | 430.22 g/mol |
| LogP | 2.9283 |
| Topological Polar Surface Area | 71.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.22345 |
| Heavy Atoms | 29 |
| Complexity | 642.4489 |
Chemical Identifiers
| CAS Number | 1049786-41-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O.Cl |
Product Overview
VU0494065-1 (CAS 1049786-41-5), with molecular formula C21H35ClN2O5 and molecular weight 430.22 g/mol. IUPAC: ethyl 4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride.
Chemical Property Profile of VU0494065-1
Property Insights of VU0494065-1
The XLogP value of 2.9283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0494065-1. The TPSA of 71.47 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0494065-1. Following Lipinski's Rule of Five, VU0494065-1 has 1 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 VU0494065-1?
The CAS number of VU0494065-1 is 1049786-41-5.
What is the molecular formula of VU0494065-1?
The molecular formula of VU0494065-1 is C21H35ClN2O5.
What is the molecular weight of VU0494065-1?
The molecular weight of VU0494065-1 is 430.22 g/mol.
Where can I buy VU0494065-1?
You can request a quote for VU0494065-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494065-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494065-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.