VU0489080-1
TL;DR: VU0489080-1 (CAS 864859-69-8) is a chemical compound with molecular formula C25H21N3O4S2 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: VU0489080-1, F1298-0986, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-(6-acetyl-3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C25H21N3O4S2 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 4.9529 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 491.09735 |
| Heavy Atoms | 34 |
| Complexity | 1408.4625 |
Chemical Identifiers
| CAS Number | 864859-69-8 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC6=C(C=C5)OCCO6 |
Product Overview
VU0489080-1 (CAS 864859-69-8), with molecular formula C25H21N3O4S2 and molecular weight 491.10 g/mol. IUPAC: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of VU0489080-1
Property Insights of VU0489080-1
The XLogP value of 4.9529 indicates that VU0489080-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489080-1. Following Lipinski's Rule of Five, VU0489080-1 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 VU0489080-1?
The CAS number of VU0489080-1 is 864859-69-8.
What is the molecular formula of VU0489080-1?
The molecular formula of VU0489080-1 is C25H21N3O4S2.
What is the molecular weight of VU0489080-1?
The molecular weight of VU0489080-1 is 491.10 g/mol.
Where can I buy VU0489080-1?
You can request a quote for VU0489080-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489080-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489080-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.