VU0495836-1
TL;DR: VU0495836-1 (CAS 899996-34-0) is a chemical compound with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495836-1, F2749-0231, N-(benzo[d]thiazol-2-yl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide, N-(1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C17H13N3O4S2 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 2.4696 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.03476 |
| Heavy Atoms | 26 |
| Complexity | 1104.6254 |
Chemical Identifiers
| CAS Number | 899996-34-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=NC4=CC=CC=C4S3 |
Product Overview
VU0495836-1 (CAS 899996-34-0), with molecular formula C17H13N3O4S2 and molecular weight 387.03 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of VU0495836-1
Property Insights of VU0495836-1
The XLogP value of 2.4696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495836-1. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495836-1. Following Lipinski's Rule of Five, VU0495836-1 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 VU0495836-1?
The CAS number of VU0495836-1 is 899996-34-0.
What is the molecular formula of VU0495836-1?
The molecular formula of VU0495836-1 is C17H13N3O4S2.
What is the molecular weight of VU0495836-1?
The molecular weight of VU0495836-1 is 387.03 g/mol.
Where can I buy VU0495836-1?
You can request a quote for VU0495836-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495836-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495836-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.