PTP1B Inhibitor
TL;DR: PTP1B Inhibitor (CAS 765317-72-4) is a chemical compound with molecular formula C26H19Br2N3O7S3 and molecular weight 738.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide
Also Known As: PTP1B Inhibitor, PTP1B-IN-4, PTP Inhibitor XXII, 1t4j, PTP1B-IN-2
| Molecular Formula | C26H19Br2N3O7S3 |
|---|---|
| Molecular Weight | 738.88 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 738.8752 |
| Heavy Atoms | 41 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 765317-72-4 |
|---|---|
| SMILES | CCC1=C(C2=C(O1)C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)C(=O)C5=CC(=C(C(=C5)Br)O)Br |
| InChIKey | SXKBTDJJEQQEGE-UHFFFAOYSA-N |
Product Overview
PTP1B Inhibitor (CAS 765317-72-4), with molecular formula C26H19Br2N3O7S3 and molecular weight 738.88 g/mol. IUPAC: 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide.
Chemical Property Profile of PTP1B Inhibitor
Property Insights of PTP1B Inhibitor
The XLogP value of 5.9 indicates that PTP1B Inhibitor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting PTP1B Inhibitor may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PTP1B Inhibitor has 3 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 PTP1B Inhibitor?
The CAS number of PTP1B Inhibitor is 765317-72-4.
What is the molecular formula of PTP1B Inhibitor?
The molecular formula of PTP1B Inhibitor is C26H19Br2N3O7S3.
What is the molecular weight of PTP1B Inhibitor?
The molecular weight of PTP1B Inhibitor is 738.88 g/mol.
Where can I buy PTP1B Inhibitor?
You can request a quote for PTP1B Inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PTP1B Inhibitor?
Yes, KEHONG BIO provides custom synthesis services for PTP1B Inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.