VU0510220-1
TL;DR: VU0510220-1 (CAS 577995-94-9) is a chemical compound with molecular formula C18H15N3OS and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-(2-methoxy-5-methylanilino)prop-2-enenitrile
Also Known As: VU0510220-1, (E)-2-(benzo[d]thiazol-2-yl)-3-((2-methoxy-5-methylphenyl)amino)acrylonitrile, (2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methoxy-5-methylphenyl)amino]prop-2-enenitrile, F3139-1303, (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methoxy-5-methylanilino)prop-2-enenitrile
| Molecular Formula | C18H15N3OS |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 4.5899 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.0936 |
| Heavy Atoms | 23 |
| Complexity | 888.40656 |
Chemical Identifiers
| CAS Number | 577995-94-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N/C=C(\C#N)/C2=NC3=CC=CC=C3S2 |
Product Overview
VU0510220-1 (CAS 577995-94-9), with molecular formula C18H15N3OS and molecular weight 321.09 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methoxy-5-methylanilino)prop-2-enenitrile.
Chemical Property Profile of VU0510220-1
Property Insights of VU0510220-1
The XLogP value of 4.5899 indicates that VU0510220-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, VU0510220-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0510220-1 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 VU0510220-1?
The CAS number of VU0510220-1 is 577995-94-9.
What is the molecular formula of VU0510220-1?
The molecular formula of VU0510220-1 is C18H15N3OS.
What is the molecular weight of VU0510220-1?
The molecular weight of VU0510220-1 is 321.09 g/mol.
Where can I buy VU0510220-1?
You can request a quote for VU0510220-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0510220-1?
Yes, KEHONG BIO provides custom synthesis services for VU0510220-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.