VU0507772-1
TL;DR: VU0507772-1 (CAS 1008983-58-1) is a chemical compound with molecular formula C17H21N3O4S2 and molecular weight 395.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate
Also Known As: VU0507772-1, (E)-isopropyl 2-(3-oxo-1-((3-(thiophen-2-yl)acryloyl)carbamothioyl)piperazin-2-yl)acetate, F3035-3125, propan-2-yl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate, propan-2-yl 2-(3-oxo-1-{[(2E)-3-(thiophen-2-yl)prop-2-enamido]methanethioyl}piperazin-2-yl)acetate
| Molecular Formula | C17H21N3O4S2 |
|---|---|
| Molecular Weight | 395.10 g/mol |
| LogP | 1.3045 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.09735 |
| Heavy Atoms | 26 |
| Complexity | 700.871 |
Chemical Identifiers
| CAS Number | 1008983-58-1 |
|---|---|
| SMILES | CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CS2 |
Product Overview
VU0507772-1 (CAS 1008983-58-1), with molecular formula C17H21N3O4S2 and molecular weight 395.10 g/mol. IUPAC: propan-2-yl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate.
Chemical Property Profile of VU0507772-1
Property Insights of VU0507772-1
The XLogP value of 1.3045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0507772-1. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0507772-1. Following Lipinski's Rule of Five, VU0507772-1 has 2 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 VU0507772-1?
The CAS number of VU0507772-1 is 1008983-58-1.
What is the molecular formula of VU0507772-1?
The molecular formula of VU0507772-1 is C17H21N3O4S2.
What is the molecular weight of VU0507772-1?
The molecular weight of VU0507772-1 is 395.10 g/mol.
Where can I buy VU0507772-1?
You can request a quote for VU0507772-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0507772-1?
Yes, KEHONG BIO provides custom synthesis services for VU0507772-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.