VU0605259-1
TL;DR: VU0605259-1 (CAS 899378-18-8) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
Also Known As: VU0605259-1, F3225-7771, (Z)-3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile, (Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile, (2Z)-3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-(4-methoxybenzenesulfonyl)prop-2-enenitrile
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.71718 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 975.6313 |
Chemical Identifiers
| CAS Number | 899378-18-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)/C(=C\NC2=CC3=C(C=C2)OCCO3)/C#N |
Product Overview
VU0605259-1 (CAS 899378-18-8), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: (Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of VU0605259-1
Property Insights of VU0605259-1
The XLogP value of 2.71718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0605259-1. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0605259-1. Following Lipinski's Rule of Five, VU0605259-1 has 1 hydrogen bond donor(s) and 7 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 VU0605259-1?
The CAS number of VU0605259-1 is 899378-18-8.
What is the molecular formula of VU0605259-1?
The molecular formula of VU0605259-1 is C18H16N2O5S.
What is the molecular weight of VU0605259-1?
The molecular weight of VU0605259-1 is 372.08 g/mol.
Where can I buy VU0605259-1?
You can request a quote for VU0605259-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0605259-1?
Yes, KEHONG BIO provides custom synthesis services for VU0605259-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.