VU0489053-1
TL;DR: VU0489053-1 (CAS 887889-48-7) is a chemical compound with molecular formula C24H20ClN3O3S2 and molecular weight 497.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzothiazol-2-yl)-2-[(3-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: VU0489053-1, ethyl 3-(1,3-benzothiazol-2-yl)-2-(3-chlorobenzamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, F1298-0508, ethyl 3-(benzo[d]thiazol-2-yl)-2-(3-chlorobenzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-2-[(3-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C24H20ClN3O3S2 |
|---|---|
| Molecular Weight | 497.06 g/mol |
| LogP | 6.4451 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 497.06348 |
| Heavy Atoms | 33 |
| Complexity | 1331.2552 |
Chemical Identifiers
| CAS Number | 887889-48-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC(=CC=C5)Cl |
Product Overview
VU0489053-1 (CAS 887889-48-7), with molecular formula C24H20ClN3O3S2 and molecular weight 497.06 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(3-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of VU0489053-1
Property Insights of VU0489053-1
The XLogP value of 6.4451 indicates that VU0489053-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489053-1. Following Lipinski's Rule of Five, VU0489053-1 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0489053-1?
The CAS number of VU0489053-1 is 887889-48-7.
What is the molecular formula of VU0489053-1?
The molecular formula of VU0489053-1 is C24H20ClN3O3S2.
What is the molecular weight of VU0489053-1?
The molecular weight of VU0489053-1 is 497.06 g/mol.
Where can I buy VU0489053-1?
You can request a quote for VU0489053-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489053-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489053-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.