A1971/0082896
TL;DR: A1971/0082896 (CAS 330956-98-4) is a chemical compound with molecular formula C26H15FN2O2S2 and molecular weight 470.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione
Also Known As: A1971/0082896, 2-(2-(((4-fluoronaphthalen-1-yl)methyl)thio)benzo[d]thiazol-6-yl)isoindoline-1,3-dione, 2-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione, 2-(2-{[(4-fluoro-1-naphthyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione, 2-(2-{[(4-fluoronaphthalen-1-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C26H15FN2O2S2 |
|---|---|
| Molecular Weight | 470.06 g/mol |
| LogP | 6.6815 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.0559 |
| Heavy Atoms | 33 |
| Complexity | 1559.406 |
Chemical Identifiers
| CAS Number | 330956-98-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2F)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O |
Product Overview
A1971/0082896 (CAS 330956-98-4), with molecular formula C26H15FN2O2S2 and molecular weight 470.06 g/mol. IUPAC: 2-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione.
Chemical Property Profile of A1971/0082896
Property Insights of A1971/0082896
The XLogP value of 6.6815 indicates that A1971/0082896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, A1971/0082896 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1971/0082896 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1971/0082896?
The CAS number of A1971/0082896 is 330956-98-4.
What is the molecular formula of A1971/0082896?
The molecular formula of A1971/0082896 is C26H15FN2O2S2.
What is the molecular weight of A1971/0082896?
The molecular weight of A1971/0082896 is 470.06 g/mol.
Where can I buy A1971/0082896?
You can request a quote for A1971/0082896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1971/0082896?
Yes, KEHONG BIO provides custom synthesis services for A1971/0082896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.