3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
TL;DR: 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 313502-15-7) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Also Known As: 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide, 3,4-Dimethyl-N-(6-nitro-2-benzothiazolyl)benzamide, (3,4-dimethylphenyl)-N-(6-nitrobenzothiazol-2-yl)carboxamide
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 313502-15-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C |
| InChIKey | ITKZAYDCFKEJGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 313502-15-7), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Property Insights of 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
The XLogP value of 4.1 indicates that 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 5 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-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The CAS number of 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is 313502-15-7.
What is the molecular formula of 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular formula of 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is C16H13N3O3S.
What is the molecular weight of 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular weight of 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is 327.07 g/mol.
Where can I buy 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
You can request a quote for 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.