VU0512838-1
TL;DR: VU0512838-1 (CAS 692746-76-2) is a chemical compound with molecular formula C17H23F3N2O4 and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-tert-butyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(3-methoxypropyl)urea
Also Known As: VU0512838-1, 1-(5-(tert-butyl)-2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)-3-(3-methoxypropyl)urea, F3181-0175, 1-[5-tert-butyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(3-methoxypropyl)urea, AP-906/42853363
| Molecular Formula | C17H23F3N2O4 |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 3.3071 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.16098 |
| Heavy Atoms | 26 |
| Complexity | 658.38855 |
Chemical Identifiers
| CAS Number | 692746-76-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(O2)(C(F)(F)F)NC(=O)NCCCOC |
Product Overview
VU0512838-1 (CAS 692746-76-2), with molecular formula C17H23F3N2O4 and molecular weight 376.16 g/mol. IUPAC: 1-[5-tert-butyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-(3-methoxypropyl)urea.
Chemical Property Profile of VU0512838-1
Property Insights of VU0512838-1
The XLogP value of 3.3071 indicates that VU0512838-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512838-1. Following Lipinski's Rule of Five, VU0512838-1 has 2 hydrogen bond donor(s) and 4 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 VU0512838-1?
The CAS number of VU0512838-1 is 692746-76-2.
What is the molecular formula of VU0512838-1?
The molecular formula of VU0512838-1 is C17H23F3N2O4.
What is the molecular weight of VU0512838-1?
The molecular weight of VU0512838-1 is 376.16 g/mol.
Where can I buy VU0512838-1?
You can request a quote for VU0512838-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512838-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512838-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.