4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide
TL;DR: 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide (CAS 438466-17-2) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide
Also Known As: 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide, 3-nitro-4-methyl-N-(2-thienylmethyl)benzamide, (4-methyl-3-nitrophenyl)-N-(2-thienylmethyl)carboxamide, 4-METHYL-3-NITRO-N~1~-(2-THIENYLMETHYL)BENZAMIDE
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 2.89472 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 608.35583 |
Chemical Identifiers
| CAS Number | 438466-17-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=CC=CS2)[N+](=O)[O-] |
Product Overview
4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide (CAS 438466-17-2), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide.
Chemical Property Profile of 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide
Property Insights of 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide
The XLogP value of 2.89472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide. Following Lipinski's Rule of Five, 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide 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 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
The CAS number of 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide is 438466-17-2.
What is the molecular formula of 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
The molecular formula of 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide is C13H12N2O3S.
What is the molecular weight of 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
The molecular weight of 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide is 276.06 g/mol.
Where can I buy 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
You can request a quote for 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.