VU0512746-1
TL;DR: VU0512746-1 (CAS 1009249-70-0) is a chemical compound with molecular formula C17H21ClN4O3S and molecular weight 396.1023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetamide
Also Known As: VU0512746-1, F3177-0010, 2-(1-(allylcarbamothioyl)-3-oxopiperazin-2-yl)-N-(5-chloro-2-methoxyphenyl)acetamide, N-(5-chloro-2-methoxyphenyl)-2-[3-oxo-1-(prop-2-enylcarbamothioyl)piperazin-2-yl]acetamide, N-(5-CHLORO-2-METHOXYPHENYL)-2-{3-OXO-1-[(PROP-2-EN-1-YL)CARBAMOTHIOYL]PIPERAZIN-2-YL}ACETAMIDE
Technical Specifications
| Molecular Formula | C17H21ClN4O3S |
| Molecular Weight | 396.1023 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.1023 Da |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CC2C(=O)NCCN2C(=S)NCC=C |
| InChIKey | GYUZZFROCACSOS-UHFFFAOYSA-N |
Chemical Property Profile of VU0512746-1
Property Insights of VU0512746-1
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0512746-1. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512746-1. Following Lipinski's Rule of Five, VU0512746-1 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of VU0512746-1?
The CAS number of VU0512746-1 is 1009249-70-0.
What is the molecular formula of VU0512746-1?
The molecular formula of VU0512746-1 is C17H21ClN4O3S.
What is the molecular weight of VU0512746-1?
The molecular weight of VU0512746-1 is 396.1023 g/mol.
Where can I buy VU0512746-1?
You can request a quote for VU0512746-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for VU0512746-1?
Yes, CoreyChem provides custom synthesis services for VU0512746-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.