VU0489504-1
TL;DR: VU0489504-1 (CAS 459154-61-1) is a chemical compound with molecular formula C25H25N7O7S2 and molecular weight 599.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
Also Known As: VU0489504-1, AE-641/40793989, 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)benzamide, F1750-0136, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
| Molecular Formula | C25H25N7O7S2 |
|---|---|
| Molecular Weight | 599.13 g/mol |
| LogP | 2.36496 |
| Topological Polar Surface Area | 204.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 599.1257 |
| Heavy Atoms | 41 |
| Complexity | 1641.7184 |
Chemical Identifiers
| CAS Number | 459154-61-1 |
|---|---|
| SMILES | COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)OC |
Product Overview
VU0489504-1 (CAS 459154-61-1), with molecular formula C25H25N7O7S2 and molecular weight 599.13 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
Chemical Property Profile of VU0489504-1
Property Insights of VU0489504-1
The XLogP value of 2.36496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0489504-1. The TPSA of 204.47 Ų indicates high polarity, suggesting VU0489504-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VU0489504-1 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0489504-1?
The CAS number of VU0489504-1 is 459154-61-1.
What is the molecular formula of VU0489504-1?
The molecular formula of VU0489504-1 is C25H25N7O7S2.
What is the molecular weight of VU0489504-1?
The molecular weight of VU0489504-1 is 599.13 g/mol.
Where can I buy VU0489504-1?
You can request a quote for VU0489504-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489504-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489504-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.