![7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid structure](/static/products/4236/42360-28-1.webp)
7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid
TL;DR: 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid (CAS 42360-28-1) is a chemical compound with molecular formula C14H8ClF2N3O4S and molecular weight 386.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid
Also Known As: 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid, 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid, 7-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-4-hydroxy-naphthalene-2-sulfonic Acid
| Molecular Formula | C14H8ClF2N3O4S |
|---|---|
| Molecular Weight | 386.99 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.9892 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 42360-28-1 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=C2C=C1NC3=C(C(=NC(=N3)F)F)Cl)S(=O)(=O)O)O |
| InChIKey | DBGWYJBTDKOODY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid (CAS 42360-28-1), with molecular formula C14H8ClF2N3O4S and molecular weight 386.99 g/mol. IUPAC: 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxynaphthalene-2-sulfonic acid.
Chemical Property Profile of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid
Property Insights of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid
The XLogP value of 3.2 indicates that 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid. Following Lipinski's Rule of Five, 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid has 3 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 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid?
The CAS number of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid is 42360-28-1.
What is the molecular formula of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid?
The molecular formula of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid is C14H8ClF2N3O4S.
What is the molecular weight of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid?
The molecular weight of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid is 386.99 g/mol.
Where can I buy 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid?
You can request a quote for 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.