![2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide structure](/static/products/3025/302569-45-5.webp)
2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide
TL;DR: 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide (CAS 302569-45-5) is a chemical compound with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
Also Known As: 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide, N-(1,3-benzodioxol-5-ylmethylideneamino)-2-[(4-nitrophenyl)methylsulfanyl]acetamide, N'-[(2H-1,3-Benzodioxol-5-yl)methylidene]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetohydrazide
| Molecular Formula | C17H15N3O5S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.707 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.07324 |
| Heavy Atoms | 26 |
| Complexity | 838.79205 |
Chemical Identifiers
| CAS Number | 302569-45-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide (CAS 302569-45-5), with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethylideneamino)-2-[(4-nitrophenyl)methylsulfanyl]acetamide.
Chemical Property Profile of 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide
Property Insights of 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide
The XLogP value of 2.707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide. Following Lipinski's Rule of Five, 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide 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 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide?
The CAS number of 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide is 302569-45-5.
What is the molecular formula of 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide?
The molecular formula of 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide is C17H15N3O5S.
What is the molecular weight of 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide?
The molecular weight of 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide is 373.07 g/mol.
Where can I buy 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide?
You can request a quote for 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(4-Nitrophenyl)methyl]thio]acetic acid 2-(1,3-benzodioxol-5-ylmethylene)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.