VU0617071-1
TL;DR: VU0617071-1 (CAS 899414-32-5) is a chemical compound with molecular formula C20H12ClNO5S and molecular weight 413.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-chlorobenzenesulfonate
Also Known As: VU0617071-1, (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-chlorobenzenesulfonate, F3385-2472, (2Z)-3-oxo-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-chlorobenzene-1-sulfonate, [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-chlorobenzenesulfonate
| Molecular Formula | C20H12ClNO5S |
|---|---|
| Molecular Weight | 413.01 g/mol |
| LogP | 4.1189 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.01248 |
| Heavy Atoms | 28 |
| Complexity | 1189.0255 |
Chemical Identifiers
| CAS Number | 899414-32-5 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3)Cl |
Product Overview
VU0617071-1 (CAS 899414-32-5), with molecular formula C20H12ClNO5S and molecular weight 413.01 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-chlorobenzenesulfonate.
Chemical Property Profile of VU0617071-1
Property Insights of VU0617071-1
The XLogP value of 4.1189 indicates that VU0617071-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0617071-1. Following Lipinski's Rule of Five, VU0617071-1 has 0 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 VU0617071-1?
The CAS number of VU0617071-1 is 899414-32-5.
What is the molecular formula of VU0617071-1?
The molecular formula of VU0617071-1 is C20H12ClNO5S.
What is the molecular weight of VU0617071-1?
The molecular weight of VU0617071-1 is 413.01 g/mol.
Where can I buy VU0617071-1?
You can request a quote for VU0617071-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0617071-1?
Yes, KEHONG BIO provides custom synthesis services for VU0617071-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.