![N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide structure](/static/products/3132/313239-26-8.webp)
N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
TL;DR: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 313239-26-8) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: BAS 00321777, N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide, AB00667491-01, N-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)butyramide, F0326-1189
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.8519 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 641.1376 |
Chemical Identifiers
| CAS Number | 313239-26-8 |
|---|---|
| SMILES | CCCC(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 313239-26-8), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
Property Insights of N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
The XLogP value of 2.8519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide. Following Lipinski's Rule of Five, N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide has 1 hydrogen bond donor(s) and 6 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 N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The CAS number of N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide is 313239-26-8.
What is the molecular formula of N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular formula of N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide is C12H12N4O3S.
What is the molecular weight of N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular weight of N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide is 292.06 g/mol.
Where can I buy N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
You can request a quote for N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.