1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide
TL;DR: 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide (CAS 241127-19-5) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide
Also Known As: 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide, 2-(tert-butylsulfonyl)-2-[2-(4-methoxyphenyl)hydrazono]acetonitrile, N-(4-METHOXYPHENYL)-1-(2-METHYLPROPANE-2-SULFONYL)METHANECARBOHYDRAZONOYL CYANIDE, [2-(4-Methoxyphenyl)hydrazinylidene](2-methylpropane-2-sulfonyl)acetonitrile, 2-[(1,1-Dimethylethyl)sulfonyl]-2-[2-(4-methoxyphenyl)hydrazinylidene]acetonitrile
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.15748 |
| Topological Polar Surface Area | 91.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 634.9243 |
Chemical Identifiers
| CAS Number | 241127-19-5 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)OC)C#N |
Product Overview
1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide (CAS 241127-19-5), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide.
Chemical Property Profile of 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide
Property Insights of 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide
The XLogP value of 2.15748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide. The TPSA of 91.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide. Following Lipinski's Rule of Five, 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide has 1 hydrogen bond donor(s) and 6 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 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide?
The CAS number of 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide is 241127-19-5.
What is the molecular formula of 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide?
The molecular formula of 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide is C13H17N3O3S.
What is the molecular weight of 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide?
The molecular weight of 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide is 295.10 g/mol.
Where can I buy 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide?
You can request a quote for 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butylsulfonyl-N-(4-methoxyanilino)methanimidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.