Benzothiazole, 2-(butylsulfonyl)-6-nitro-
TL;DR: Benzothiazole, 2-(butylsulfonyl)-6-nitro- (CAS 21906-89-8) is a chemical compound with molecular formula C11H12N2O4S2 and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfonyl-6-nitro-1,3-benzothiazole
Also Known As: Benzothiazole, 2-(butylsulfonyl)-6-nitro-, 2-butylsulfonyl-6-nitro-1,3-benzothiazole, n-Butyl-6-nitrobenzothiazolyl-2-sulfone, 2-(Butane-1-sulfonyl)-6-nitro-1,3-benzothiazole
| Molecular Formula | C11H12N2O4S2 |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.02383 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 21906-89-8 |
|---|---|
| SMILES | CCCCS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | UMUQMVREVLOMTE-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-(butylsulfonyl)-6-nitro- (CAS 21906-89-8), with molecular formula C11H12N2O4S2 and molecular weight 300.02 g/mol. IUPAC: 2-butylsulfonyl-6-nitro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(butylsulfonyl)-6-nitro-
Property Insights of Benzothiazole, 2-(butylsulfonyl)-6-nitro-
The XLogP value of 3.3 indicates that Benzothiazole, 2-(butylsulfonyl)-6-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-(butylsulfonyl)-6-nitro-. Following Lipinski's Rule of Five, Benzothiazole, 2-(butylsulfonyl)-6-nitro- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-(butylsulfonyl)-6-nitro-?
The CAS number of Benzothiazole, 2-(butylsulfonyl)-6-nitro- is 21906-89-8.
What is the molecular formula of Benzothiazole, 2-(butylsulfonyl)-6-nitro-?
The molecular formula of Benzothiazole, 2-(butylsulfonyl)-6-nitro- is C11H12N2O4S2.
What is the molecular weight of Benzothiazole, 2-(butylsulfonyl)-6-nitro-?
The molecular weight of Benzothiazole, 2-(butylsulfonyl)-6-nitro- is 300.02 g/mol.
Where can I buy Benzothiazole, 2-(butylsulfonyl)-6-nitro-?
You can request a quote for Benzothiazole, 2-(butylsulfonyl)-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(butylsulfonyl)-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(butylsulfonyl)-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.