VU0495843-1
TL;DR: VU0495843-1 (CAS 899954-99-5) is a chemical compound with molecular formula C13H12N4O4S2 and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495843-1, F2749-0241, N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, 2-[2-(N-5-methyl-1,3,4-thiadiazol-2-ylcarbamoyl)ethyl]-1-oxo-3-oxo-2,3-dihydro-1H-1lambda,2-benzisothiazol-1-ium-1-olate, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
| Molecular Formula | C13H12N4O4S2 |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 1.01982 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.03 |
| Heavy Atoms | 23 |
| Complexity | 890.8844 |
Chemical Identifiers
| CAS Number | 899954-99-5 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
VU0495843-1 (CAS 899954-99-5), with molecular formula C13H12N4O4S2 and molecular weight 352.03 g/mol. IUPAC: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of VU0495843-1
Property Insights of VU0495843-1
The XLogP value of 1.01982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495843-1. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495843-1. Following Lipinski's Rule of Five, VU0495843-1 has 1 hydrogen bond donor(s) and 7 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 VU0495843-1?
The CAS number of VU0495843-1 is 899954-99-5.
What is the molecular formula of VU0495843-1?
The molecular formula of VU0495843-1 is C13H12N4O4S2.
What is the molecular weight of VU0495843-1?
The molecular weight of VU0495843-1 is 352.03 g/mol.
Where can I buy VU0495843-1?
You can request a quote for VU0495843-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495843-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495843-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.