VU0491987-1
TL;DR: VU0491987-1 (CAS 898438-56-7) is a chemical compound with molecular formula C20H26N2O3S and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
Also Known As: VU0491987-1, F2669-0079, N-[2-(cyclohex-1-en-1-yl)ethyl]-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13)-triene-7-sulfonamide, N-(2-(cyclohex-1-en-1-yl)ethyl)-3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-sulfonamide, 8-[2-(1-cyclohexen-1-yl)ethylaminosulfonyl]-3a-aza-5,6-dihydro-1H,4H-phenalen-3(2H)-one
| Molecular Formula | C20H26N2O3S |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 3.0808 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.1664 |
| Heavy Atoms | 26 |
| Complexity | 840.8024 |
Chemical Identifiers
| CAS Number | 898438-56-7 |
|---|---|
| SMILES | C1CCC(=CC1)CCNS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CCC3 |
Product Overview
VU0491987-1 (CAS 898438-56-7), with molecular formula C20H26N2O3S and molecular weight 374.17 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide.
Chemical Property Profile of VU0491987-1
Property Insights of VU0491987-1
The XLogP value of 3.0808 indicates that VU0491987-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0491987-1. Following Lipinski's Rule of Five, VU0491987-1 has 1 hydrogen bond donor(s) and 3 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 VU0491987-1?
The CAS number of VU0491987-1 is 898438-56-7.
What is the molecular formula of VU0491987-1?
The molecular formula of VU0491987-1 is C20H26N2O3S.
What is the molecular weight of VU0491987-1?
The molecular weight of VU0491987-1 is 374.17 g/mol.
Where can I buy VU0491987-1?
You can request a quote for VU0491987-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0491987-1?
Yes, KEHONG BIO provides custom synthesis services for VU0491987-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.