VU0508761-1
TL;DR: VU0508761-1 (CAS 1042069-35-1) is a chemical compound with molecular formula C21H22ClN3O5S2 and molecular weight 495.06894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oxolan-2-ylmethyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Also Known As: VU0508761-1, F3087-4652, (oxolan-2-yl)methyl 2-(1-{[(3-chloro-1-benzothiophen-2-yl)formamido]methanethioyl}-3-oxopiperazin-2-yl)acetate, (tetrahydrofuran-2-yl)methyl 2-(1-((3-chlorobenzo[b]thiophene-2-carbonyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate, oxolan-2-ylmethyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
Technical Specifications
| Molecular Formula | C21H22ClN3O5S2 |
| Molecular Weight | 495.06894 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.06894 Da |
| Heavy Atoms | 32 |
| Complexity | 757.0 |
| SMILES | C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
| InChIKey | BADVSQBZDLADKJ-UHFFFAOYSA-N |
Chemical Property Profile of VU0508761-1
Property Insights of VU0508761-1
The XLogP value of 3.0 indicates that VU0508761-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting VU0508761-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VU0508761-1 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of VU0508761-1?
The CAS number of VU0508761-1 is 1042069-35-1.
What is the molecular formula of VU0508761-1?
The molecular formula of VU0508761-1 is C21H22ClN3O5S2.
What is the molecular weight of VU0508761-1?
The molecular weight of VU0508761-1 is 495.06894 g/mol.
Where can I buy VU0508761-1?
You can request a quote for VU0508761-1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for VU0508761-1?
Yes, CoreyChem provides custom synthesis services for VU0508761-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.