Urea isostere 16
TL;DR: Urea isostere 16 (CAS 579515-72-3) is a chemical compound with molecular formula C24H23N7O3S and molecular weight 489.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[methyl-[2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-phenylurea
Also Known As: urea isostere 16, 1-[4-[methyl-[2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-phenylurea, 3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl})amino]phenyl}-1-phenylurea, 3-[[4-[Methyl[4-[[(phenylamino)carbonyl]amino]phenyl]amino]-2-pyrimidinyl]amino]benzenesulfonamide, 3-{[4-(Methyl{4-[(phenylcarbamoyl)amino]phenyl}amino)pyrimidin-2-yl]amino}benzene-1-sulfonamide
| Molecular Formula | C24H23N7O3S |
|---|---|
| Molecular Weight | 489.16 g/mol |
| LogP | 4.2795 |
| Topological Polar Surface Area | 142.34 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.1583 |
| Heavy Atoms | 35 |
| Complexity | 1429.215 |
Chemical Identifiers
| CAS Number | 579515-72-3 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N |
Product Overview
Urea isostere 16 (CAS 579515-72-3), with molecular formula C24H23N7O3S and molecular weight 489.16 g/mol. IUPAC: 1-[4-[methyl-[2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-phenylurea.
Chemical Property Profile of Urea isostere 16
Property Insights of Urea isostere 16
The XLogP value of 4.2795 indicates that Urea isostere 16 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.34 Ų indicates high polarity, suggesting Urea isostere 16 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea isostere 16 has 4 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 Urea isostere 16?
The CAS number of Urea isostere 16 is 579515-72-3.
What is the molecular formula of Urea isostere 16?
The molecular formula of Urea isostere 16 is C24H23N7O3S.
What is the molecular weight of Urea isostere 16?
The molecular weight of Urea isostere 16 is 489.16 g/mol.
Where can I buy Urea isostere 16?
You can request a quote for Urea isostere 16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea isostere 16?
Yes, KEHONG BIO provides custom synthesis services for Urea isostere 16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.