![N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide structure](/static/products/851/851130-60-4.png)
N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide
TL;DR: N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide (CAS 851130-60-4) is a chemical compound with molecular formula C14H13N5O4S2 and molecular weight 379.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Also Known As: N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide, N-(4-nitrophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide, N-(4-NITROPHENYL)-2-({8-OXO-5H,6H,7H,8H-[1,3,4]THIADIAZOLO[3,2-A][1,3]DIAZEPIN-2-YL}SULFANYL)ACETAMIDE
| Molecular Formula | C14H13N5O4S2 |
|---|---|
| Molecular Weight | 379.04 g/mol |
| LogP | 2.2627 |
| Topological Polar Surface Area | 117.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0409 |
| Heavy Atoms | 25 |
| Complexity | 777.9317 |
Chemical Identifiers
| CAS Number | 851130-60-4 |
|---|---|
| SMILES | C1CC(=O)N=C2N(C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide (CAS 851130-60-4), with molecular formula C14H13N5O4S2 and molecular weight 379.04 g/mol. IUPAC: N-(4-nitrophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide
Property Insights of N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide
The XLogP value of 2.2627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide. The TPSA of 117.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide 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 N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide?
The CAS number of N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide is 851130-60-4.
What is the molecular formula of N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide?
The molecular formula of N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide is C14H13N5O4S2.
What is the molecular weight of N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide?
The molecular weight of N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide is 379.04 g/mol.
Where can I buy N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide?
You can request a quote for N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitrophenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.