VU0513358-1
TL;DR: VU0513358-1 (CAS 890601-84-0) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: VU0513358-1, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide, F3215-0234, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide, N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))(3-methyl(2H,3H-benzo[e]1, 4-dioxan-2-yl))carboxamide
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.66558 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 868.03955 |
Chemical Identifiers
| CAS Number | 890601-84-0 |
|---|---|
| SMILES | CC1C(OC2=CC=CC=C2O1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N |
Product Overview
VU0513358-1 (CAS 890601-84-0), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of VU0513358-1
Property Insights of VU0513358-1
The XLogP value of 3.66558 indicates that VU0513358-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513358-1. Following Lipinski's Rule of Five, VU0513358-1 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 VU0513358-1?
The CAS number of VU0513358-1 is 890601-84-0.
What is the molecular formula of VU0513358-1?
The molecular formula of VU0513358-1 is C19H18N2O3S.
What is the molecular weight of VU0513358-1?
The molecular weight of VU0513358-1 is 354.10 g/mol.
Where can I buy VU0513358-1?
You can request a quote for VU0513358-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513358-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513358-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.