Nebentan
TL;DR: Nebentan (CAS 403604-85-3) is a chemical compound with molecular formula C24H21N5O5S and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide
Also Known As: Nebentan, Nebentan [INN], Nebentan potassium, Nebentan free base, YM598 free base
| Molecular Formula | C24H21N5O5S |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 4.1557 |
| Topological Polar Surface Area | 125.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.12634 |
| Heavy Atoms | 35 |
| Complexity | 1431.6471 |
Chemical Identifiers
| CAS Number | 403604-85-3 |
|---|---|
| SMILES | COC1=CC=CC=C1OC2=C(N=C(N=C2OC)C3=NC=CC=N3)NS(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
Nebentan (CAS 403604-85-3), with molecular formula C24H21N5O5S and molecular weight 491.13 g/mol. IUPAC: (E)-N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethenesulfonamide.
Chemical Property Profile of Nebentan
Property Insights of Nebentan
The XLogP value of 4.1557 indicates that Nebentan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Nebentan. Following Lipinski's Rule of Five, Nebentan has 1 hydrogen bond donor(s) and 9 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 Nebentan?
The CAS number of Nebentan is 403604-85-3.
What is the molecular formula of Nebentan?
The molecular formula of Nebentan is C24H21N5O5S.
What is the molecular weight of Nebentan?
The molecular weight of Nebentan is 491.13 g/mol.
Where can I buy Nebentan?
You can request a quote for Nebentan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nebentan?
Yes, KEHONG BIO provides custom synthesis services for Nebentan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.