VU0489533-1
TL;DR: VU0489533-1 (CAS 868214-59-9) is a chemical compound with molecular formula C26H28N4O6S3 and molecular weight 588.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: VU0489533-1, N-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(4-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}phenyl)-2-({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide, N-(4-(N-(3,4-dimethoxyphenethyl)sulfamoyl)phenyl)-2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}sulfonyl)phenyl]-2-(5,6-dimethyl-4- oxo(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
| Molecular Formula | C26H28N4O6S3 |
|---|---|
| Molecular Weight | 588.12 g/mol |
| LogP | 3.87044 |
| Topological Polar Surface Area | 139.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 588.1171 |
| Heavy Atoms | 39 |
| Complexity | 1663.762 |
Chemical Identifiers
| CAS Number | 868214-59-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC(=C(C=C4)OC)OC)C |
Product Overview
VU0489533-1 (CAS 868214-59-9), with molecular formula C26H28N4O6S3 and molecular weight 588.12 g/mol. IUPAC: N-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of VU0489533-1
Property Insights of VU0489533-1
The XLogP value of 3.87044 indicates that VU0489533-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.48 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489533-1. Following Lipinski's Rule of Five, VU0489533-1 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0489533-1?
The CAS number of VU0489533-1 is 868214-59-9.
What is the molecular formula of VU0489533-1?
The molecular formula of VU0489533-1 is C26H28N4O6S3.
What is the molecular weight of VU0489533-1?
The molecular weight of VU0489533-1 is 588.12 g/mol.
Where can I buy VU0489533-1?
You can request a quote for VU0489533-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489533-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489533-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.