![2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/3918/391862-52-5.webp)
2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 391862-52-5) is a chemical compound with molecular formula C16H11N5O5S and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide, AB00667849-01, F0453-0087, 2-methyl-3-nitro-N-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C16H11N5O5S |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 3.58222 |
| Topological Polar Surface Area | 141.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.0481 |
| Heavy Atoms | 27 |
| Complexity | 1064.8595 |
Chemical Identifiers
| CAS Number | 391862-52-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 391862-52-5), with molecular formula C16H11N5O5S and molecular weight 385.05 g/mol. IUPAC: 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 3.58222 indicates that 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.16 Ų indicates high polarity, suggesting 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide has 1 hydrogen bond donor(s) and 8 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-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is 391862-52-5.
What is the molecular formula of 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is C16H11N5O5S.
What is the molecular weight of 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide is 385.05 g/mol.
Where can I buy 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-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 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-nitro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.