![2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile structure](/static/products/2411/241127-27-5.webp)
2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile
TL;DR: 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile (CAS 241127-27-5) is a chemical compound with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylamino)-1-tert-butylsulfonylmethanimidoyl cyanide
Also Known As: 2-[2-(1,3-benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile, N-(1,3-benzodioxol-5-ylamino)-1-tert-butylsulfonylmethanimidoyl cyanide
| Molecular Formula | C13H15N3O4S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 1.87758 |
| Topological Polar Surface Area | 100.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.07834 |
| Heavy Atoms | 21 |
| Complexity | 726.76373 |
Chemical Identifiers
| CAS Number | 241127-27-5 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=NNC1=CC2=C(C=C1)OCO2)C#N |
Product Overview
2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile (CAS 241127-27-5), with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylamino)-1-tert-butylsulfonylmethanimidoyl cyanide.
Chemical Property Profile of 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile
Property Insights of 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile
The XLogP value of 1.87758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile. The TPSA of 100.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile. Following Lipinski's Rule of Five, 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile 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-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile?
The CAS number of 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile is 241127-27-5.
What is the molecular formula of 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile?
The molecular formula of 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile is C13H15N3O4S.
What is the molecular weight of 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile?
The molecular weight of 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile is 309.08 g/mol.
Where can I buy 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile?
You can request a quote for 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(1,3-Benzodioxol-5-yl)hydrazono]-2-(tert-butylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.