![3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one structure](/static/products/531/5316-87-0.png)
3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one
TL;DR: 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one (CAS 5316-87-0) is a chemical compound with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-2-one
Also Known As: 3-(4-nitrobenzyl)benzo[d]thiazol-2(3H)-one, 3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-2-one, 2(3h)-benzo[d]thiazolone,3-[(4-nitrophenyl)methyl]-, 3-[(4-nitrophenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
| Molecular Formula | C14H10N2O3S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0412 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 5316-87-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | LXQREGGBLTUBTM-UHFFFAOYSA-N |
Product Overview
3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one (CAS 5316-87-0), with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol. IUPAC: 3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one
Property Insights of 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one
The XLogP value of 3.2 indicates that 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one has 0 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 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one?
The CAS number of 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one is 5316-87-0.
What is the molecular formula of 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one?
The molecular formula of 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one is C14H10N2O3S.
What is the molecular weight of 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one?
The molecular weight of 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one is 286.04 g/mol.
Where can I buy 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one?
You can request a quote for 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)methyl]-1,3-benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.