![4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate structure](/static/products/4778/477857-50-4.webp)
4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate
TL;DR: 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate (CAS 477857-50-4) is a chemical compound with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] benzenesulfonate
Also Known As: Bionet1_003634, 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate, [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] benzenesulfonate, 11P-254, 4-[4-(pyridin-2-yl)pyrimidin-2-yl]phenyl benzenesulfonate
| Molecular Formula | C21H15N3O3S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 3.9733 |
| Topological Polar Surface Area | 82.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.0834 |
| Heavy Atoms | 28 |
| Complexity | 1180.5206 |
Chemical Identifiers
| CAS Number | 477857-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CC=N4 |
Product Overview
4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate (CAS 477857-50-4), with molecular formula C21H15N3O3S and molecular weight 389.08 g/mol. IUPAC: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] benzenesulfonate.
Chemical Property Profile of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate
Property Insights of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate
The XLogP value of 3.9733 indicates that 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate. Following Lipinski's Rule of Five, 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate has 0 hydrogen bond donor(s) and 6 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 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate?
The CAS number of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate is 477857-50-4.
What is the molecular formula of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate?
The molecular formula of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate is C21H15N3O3S.
What is the molecular weight of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate?
The molecular weight of 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate is 389.08 g/mol.
Where can I buy 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate?
You can request a quote for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Pyridinyl)-2-pyrimidinyl]phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.