VU0495837-1
TL;DR: VU0495837-1 (CAS 899954-92-8) is a chemical compound with molecular formula C18H15N3O4S2 and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495837-1, F2749-0232, N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide, N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, 3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(6-methylbenzo[d]thiazol-2-yl)propanamide
| Molecular Formula | C18H15N3O4S2 |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 2.77802 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.05038 |
| Heavy Atoms | 27 |
| Complexity | 1184.2898 |
Chemical Identifiers
| CAS Number | 899954-92-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
VU0495837-1 (CAS 899954-92-8), with molecular formula C18H15N3O4S2 and molecular weight 401.05 g/mol. IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of VU0495837-1
Property Insights of VU0495837-1
The XLogP value of 2.77802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495837-1. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495837-1. Following Lipinski's Rule of Five, VU0495837-1 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 VU0495837-1?
The CAS number of VU0495837-1 is 899954-92-8.
What is the molecular formula of VU0495837-1?
The molecular formula of VU0495837-1 is C18H15N3O4S2.
What is the molecular weight of VU0495837-1?
The molecular weight of VU0495837-1 is 401.05 g/mol.
Where can I buy VU0495837-1?
You can request a quote for VU0495837-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495837-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495837-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.