VU0492534-1
TL;DR: VU0492534-1 (CAS 690646-20-9) is a chemical compound with molecular formula C21H17N3OS2 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
Also Known As: VU0492534-1, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide, F3111-1615, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)nicotinamide
| Molecular Formula | C21H17N3OS2 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 5.5509 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.0813 |
| Heavy Atoms | 27 |
| Complexity | 1098.0078 |
Chemical Identifiers
| CAS Number | 690646-20-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=CC=C3)C4=NC5=CC=CC=C5S4 |
Product Overview
VU0492534-1 (CAS 690646-20-9), with molecular formula C21H17N3OS2 and molecular weight 391.08 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide.
Chemical Property Profile of VU0492534-1
Property Insights of VU0492534-1
The XLogP value of 5.5509 indicates that VU0492534-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, VU0492534-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0492534-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0492534-1?
The CAS number of VU0492534-1 is 690646-20-9.
What is the molecular formula of VU0492534-1?
The molecular formula of VU0492534-1 is C21H17N3OS2.
What is the molecular weight of VU0492534-1?
The molecular weight of VU0492534-1 is 391.08 g/mol.
Where can I buy VU0492534-1?
You can request a quote for VU0492534-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0492534-1?
Yes, KEHONG BIO provides custom synthesis services for VU0492534-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.