![N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide structure](/static/products/3314/331460-68-5.webp)
N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide
TL;DR: N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide (CAS 331460-68-5) is a chemical compound with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide
Also Known As: N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-(phenylsulfanyl)acetohydrazide, N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide
| Molecular Formula | C16H13N3O5S |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 2.5659 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.0576 |
| Heavy Atoms | 25 |
| Complexity | 826.01996 |
Chemical Identifiers
| CAS Number | 331460-68-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CSC3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide (CAS 331460-68-5), with molecular formula C16H13N3O5S and molecular weight 359.06 g/mol. IUPAC: N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide.
Chemical Property Profile of N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide
Property Insights of N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide
The XLogP value of 2.5659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide. Following Lipinski's Rule of Five, N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide has 1 hydrogen bond donor(s) and 7 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-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide?
The CAS number of N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide is 331460-68-5.
What is the molecular formula of N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide?
The molecular formula of N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide is C16H13N3O5S.
What is the molecular weight of N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide?
The molecular weight of N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide is 359.06 g/mol.
Where can I buy N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide?
You can request a quote for N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylsulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.