VU0509274-1
TL;DR: VU0509274-1 (CAS 459791-75-4) is a chemical compound with molecular formula C13H13F3N2O7S3 and molecular weight 461.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetamide
Also Known As: VU0509274-1, AB00682632-01, F3103-0059, N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(2-nitro-4-trifluoromethanesulfonylphenyl)sulfanyl]acetamide, N-(1,1-dioxothiolan-3-yl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetamide
| Molecular Formula | C13H13F3N2O7S3 |
|---|---|
| Molecular Weight | 461.98 g/mol |
| LogP | 1.2837 |
| Topological Polar Surface Area | 140.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.9837 |
| Heavy Atoms | 28 |
| Complexity | 1006.69385 |
Chemical Identifiers
| CAS Number | 459791-75-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
VU0509274-1 (CAS 459791-75-4), with molecular formula C13H13F3N2O7S3 and molecular weight 461.98 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetamide.
Chemical Property Profile of VU0509274-1
Property Insights of VU0509274-1
The XLogP value of 1.2837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509274-1. The TPSA of 140.52 Ų indicates high polarity, suggesting VU0509274-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VU0509274-1 has 1 hydrogen bond donor(s) and 8 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 VU0509274-1?
The CAS number of VU0509274-1 is 459791-75-4.
What is the molecular formula of VU0509274-1?
The molecular formula of VU0509274-1 is C13H13F3N2O7S3.
What is the molecular weight of VU0509274-1?
The molecular weight of VU0509274-1 is 461.98 g/mol.
Where can I buy VU0509274-1?
You can request a quote for VU0509274-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509274-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509274-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.