VU0495749-1
TL;DR: VU0495749-1 (CAS 899756-92-4) is a chemical compound with molecular formula C16H13N3O6S and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: VU0495749-1, F2748-0185, N-(2-methyl-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(2-methyl-4-nitrophenyl)acetamide, N-(2-methyl-4-nitrophenyl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C16H13N3O6S |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 1.68642 |
| Topological Polar Surface Area | 126.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.05252 |
| Heavy Atoms | 26 |
| Complexity | 1047.7007 |
Chemical Identifiers
| CAS Number | 899756-92-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
VU0495749-1 (CAS 899756-92-4), with molecular formula C16H13N3O6S and molecular weight 375.05 g/mol. IUPAC: N-(2-methyl-4-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of VU0495749-1
Property Insights of VU0495749-1
The XLogP value of 1.68642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495749-1. The TPSA of 126.69 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495749-1. Following Lipinski's Rule of Five, VU0495749-1 has 1 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 VU0495749-1?
The CAS number of VU0495749-1 is 899756-92-4.
What is the molecular formula of VU0495749-1?
The molecular formula of VU0495749-1 is C16H13N3O6S.
What is the molecular weight of VU0495749-1?
The molecular weight of VU0495749-1 is 375.05 g/mol.
Where can I buy VU0495749-1?
You can request a quote for VU0495749-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495749-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495749-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.