BAS 00312506
TL;DR: BAS 00312506 (CAS 315239-52-2) is a chemical compound with molecular formula C17H8F7NO2S and molecular weight 423.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]isoindole-1,3-dione
Also Known As: BAS 00312506, 2-{3-[(1,1,2,2,3,3,3-heptafluoropropyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione, AF-399/32657017, 2-(3-Heptafluoropropylsulfanyl-phenyl)-isoindole-1,3-dione, 2-[3-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]isoindole-1,3-dione
| Molecular Formula | C17H8F7NO2S |
|---|---|
| Molecular Weight | 423.02 g/mol |
| LogP | 5.3697 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.0164 |
| Heavy Atoms | 28 |
| Complexity | 923.5172 |
Chemical Identifiers
| CAS Number | 315239-52-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)SC(C(C(F)(F)F)(F)F)(F)F |
Product Overview
BAS 00312506 (CAS 315239-52-2), with molecular formula C17H8F7NO2S and molecular weight 423.02 g/mol. IUPAC: 2-[3-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]isoindole-1,3-dione.
Chemical Property Profile of BAS 00312506
Property Insights of BAS 00312506
The XLogP value of 5.3697 indicates that BAS 00312506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 00312506 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00312506 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00312506?
The CAS number of BAS 00312506 is 315239-52-2.
What is the molecular formula of BAS 00312506?
The molecular formula of BAS 00312506 is C17H8F7NO2S.
What is the molecular weight of BAS 00312506?
The molecular weight of BAS 00312506 is 423.02 g/mol.
Where can I buy BAS 00312506?
You can request a quote for BAS 00312506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00312506?
Yes, KEHONG BIO provides custom synthesis services for BAS 00312506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.