2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
TL;DR: 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CAS 349440-32-0) 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.
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
Also Known As: 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide, N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide, N-(6-methylbenzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.69412 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 887.2268 |
Chemical Identifiers
| CAS Number | 349440-32-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CAS 349440-32-0), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Property Insights of 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
The XLogP value of 3.69412 indicates that 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide 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 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The CAS number of 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is 349440-32-0.
What is the molecular formula of 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The molecular formula of 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is C16H13N3O3S.
What is the molecular weight of 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The molecular weight of 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is 327.07 g/mol.
Where can I buy 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
You can request a quote for 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-nitrophenyl}-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.