Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-
TL;DR: Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- (CAS 88437-13-2) is a chemical compound with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-2,3-dihydro-1,3-benzothiazole
Also Known As: BAS 00316410, Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-, 2-(3-nitrophenyl)-2,3-dihydro-1,3-benzothiazole, 1-Hexyn-1-aminium,N,N,N-trimethyl-,bromide, 2-(3-Nitro-phenyl)-2,3-dihydro-benzothiazole
| Molecular Formula | C13H10N2O2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.8112 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0463 |
| Heavy Atoms | 18 |
| Complexity | 590.4452 |
Chemical Identifiers
| CAS Number | 88437-13-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(S2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- (CAS 88437-13-2), with molecular formula C13H10N2O2S and molecular weight 258.05 g/mol. IUPAC: 2-(3-nitrophenyl)-2,3-dihydro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-
Property Insights of Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-
The XLogP value of 3.8112 indicates that Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- has 1 hydrogen bond donor(s) and 4 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, 2,3-dihydro-2-(3-nitrophenyl)-?
The CAS number of Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- is 88437-13-2.
What is the molecular formula of Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-?
The molecular formula of Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- is C13H10N2O2S.
What is the molecular weight of Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-?
The molecular weight of Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- is 258.05 g/mol.
Where can I buy Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-?
You can request a quote for Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,3-dihydro-2-(3-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.