2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole
TL;DR: 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole (CAS 39951-80-9) is a chemical compound with molecular formula C31H19N3O5S and molecular weight 545.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1,3-benzothiazol-2-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyphenyl]methyl]isoindole-1,3-dione
Also Known As: 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole, 1H-Isoindole-1,3(2H)-dione, 2,2'-[[5-(2-benzothiazolyl)-4-hydroxy-1,3-phenylene]bis(methylene)]bis-, n,n'-[[5-4-hydroxy-1,3-phenylene]bis]bisphthalimide, N,N'-[[5- -4-hydroxy-1,3-phenylene]bis ]bisphthalimide, 1H-Isoindole-1,3(2H)-dione, 2,2'-((5-(2-benzothiazolyl)-4-hydroxy-1,3-phenylene)bis(methylene))bis-
| Molecular Formula | C31H19N3O5S |
|---|---|
| Molecular Weight | 545.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.10455 |
| Heavy Atoms | 40 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 39951-80-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C(=C3)C4=NC5=CC=CC=C5S4)O)CN6C(=O)C7=CC=CC=C7C6=O |
| InChIKey | XSHSFYWQOREZSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole (CAS 39951-80-9), with molecular formula C31H19N3O5S and molecular weight 545.10 g/mol. IUPAC: 2-[[3-(1,3-benzothiazol-2-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyphenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole
Property Insights of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole
The XLogP value of 4.6 indicates that 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole. Following Lipinski's Rule of Five, 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole?
The CAS number of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole is 39951-80-9.
What is the molecular formula of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole?
The molecular formula of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole is C31H19N3O5S.
What is the molecular weight of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole?
The molecular weight of 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole is 545.10 g/mol.
Where can I buy 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole?
You can request a quote for 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxy-3,5-bis(phthalimidomethyl)phenyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.