VU0608745-1
TL;DR: VU0608745-1 (CAS 727689-80-7) is a chemical compound with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
Also Known As: VU0608745-1, F3284-8589, 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-(3-nitrophenyl)thiazol-2-yl)thio)ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl}ethan-1-one, 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone
| Molecular Formula | C20H21N3O4S2 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 4.75804 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 431.09735 |
| Heavy Atoms | 29 |
| Complexity | 1042.2783 |
Chemical Identifiers
| CAS Number | 727689-80-7 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
VU0608745-1 (CAS 727689-80-7), with molecular formula C20H21N3O4S2 and molecular weight 431.10 g/mol. IUPAC: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]ethanone.
Chemical Property Profile of VU0608745-1
Property Insights of VU0608745-1
The XLogP value of 4.75804 indicates that VU0608745-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0608745-1. Following Lipinski's Rule of Five, VU0608745-1 has 0 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 VU0608745-1?
The CAS number of VU0608745-1 is 727689-80-7.
What is the molecular formula of VU0608745-1?
The molecular formula of VU0608745-1 is C20H21N3O4S2.
What is the molecular weight of VU0608745-1?
The molecular weight of VU0608745-1 is 431.10 g/mol.
Where can I buy VU0608745-1?
You can request a quote for VU0608745-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0608745-1?
Yes, KEHONG BIO provides custom synthesis services for VU0608745-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.