![2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide structure](/static/products/3942/394239-34-0.webp)
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 394239-34-0) is a chemical compound with molecular formula C19H15N5O3S3 and molecular weight 457.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide, AB00672452-01, F0748-0568, 2-(benzo[d]thiazol-2-ylthio)-N-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)butanamide, 2-benzothiazol-2-ylsulfanyl-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C19H15N5O3S3 |
|---|---|
| Molecular Weight | 457.03 g/mol |
| LogP | 5.2324 |
| Topological Polar Surface Area | 110.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0337 |
| Heavy Atoms | 30 |
| Complexity | 1189.8394 |
Chemical Identifiers
| CAS Number | 394239-34-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3 |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 394239-34-0), with molecular formula C19H15N5O3S3 and molecular weight 457.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide
The XLogP value of 5.2324 indicates that 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide is 394239-34-0.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide is C19H15N5O3S3.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide is 457.03 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-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 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-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.