BAS 00332987
TL;DR: BAS 00332987 (CAS 66635-26-5) is a chemical compound with molecular formula C28H14N4O8S and molecular weight 566.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-[4-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]sulfanylphenyl]isoindole-1,3-dione
Also Known As: BAS 00332987, 5-nitro-2-[4-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]sulfanylphenyl]isoindole-1,3-dione, 2,2'-(sulfanediyldibenzene-4,1-diyl)bis(5-nitro-1H-isoindole-1,3(2H)-dione), 5-nitro-2-{4-[4-(5-nitro-1,3-dioxobenzo[c]azolin-2-yl)phenylthio]phenyl}benzo[ c]azoline-1,3-dione
| Molecular Formula | C28H14N4O8S |
|---|---|
| Molecular Weight | 566.05 g/mol |
| LogP | 5.2554 |
| Topological Polar Surface Area | 161.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.0532 |
| Heavy Atoms | 41 |
| Complexity | 1719.3541 |
Chemical Identifiers
| CAS Number | 66635-26-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])SC4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-] |
Product Overview
BAS 00332987 (CAS 66635-26-5), with molecular formula C28H14N4O8S and molecular weight 566.05 g/mol. IUPAC: 5-nitro-2-[4-[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]sulfanylphenyl]isoindole-1,3-dione.
Chemical Property Profile of BAS 00332987
Property Insights of BAS 00332987
The XLogP value of 5.2554 indicates that BAS 00332987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.04 Ų indicates high polarity, suggesting BAS 00332987 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00332987 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00332987?
The CAS number of BAS 00332987 is 66635-26-5.
What is the molecular formula of BAS 00332987?
The molecular formula of BAS 00332987 is C28H14N4O8S.
What is the molecular weight of BAS 00332987?
The molecular weight of BAS 00332987 is 566.05 g/mol.
Where can I buy BAS 00332987?
You can request a quote for BAS 00332987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00332987?
Yes, KEHONG BIO provides custom synthesis services for BAS 00332987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.