VU0495813-1
TL;DR: VU0495813-1 (CAS 899757-36-9) is a chemical compound with molecular formula C17H12ClN3O4S and molecular weight 389.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-cyanophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
Also Known As: VU0495813-1, F2749-0164, N-(5-chloro-2-cyanophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide, N-(5-chloro-2-cyanophenyl)-3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamide, N-(5-chloro-2-cyanophenyl)-3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamide
| Molecular Formula | C17H12ClN3O4S |
|---|---|
| Molecular Weight | 389.02 g/mol |
| LogP | 2.38498 |
| Topological Polar Surface Area | 107.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0237 |
| Heavy Atoms | 26 |
| Complexity | 1059.918 |
Chemical Identifiers
| CAS Number | 899757-36-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCC(=O)NC3=C(C=CC(=C3)Cl)C#N |
Product Overview
VU0495813-1 (CAS 899757-36-9), with molecular formula C17H12ClN3O4S and molecular weight 389.02 g/mol. IUPAC: N-(5-chloro-2-cyanophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
Chemical Property Profile of VU0495813-1
Property Insights of VU0495813-1
The XLogP value of 2.38498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0495813-1. The TPSA of 107.34 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0495813-1. Following Lipinski's Rule of Five, VU0495813-1 has 1 hydrogen bond donor(s) and 5 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 VU0495813-1?
The CAS number of VU0495813-1 is 899757-36-9.
What is the molecular formula of VU0495813-1?
The molecular formula of VU0495813-1 is C17H12ClN3O4S.
What is the molecular weight of VU0495813-1?
The molecular weight of VU0495813-1 is 389.02 g/mol.
Where can I buy VU0495813-1?
You can request a quote for VU0495813-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0495813-1?
Yes, KEHONG BIO provides custom synthesis services for VU0495813-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.