1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide
TL;DR: 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide (CAS 338976-15-1) is a chemical compound with molecular formula C12H14ClN3O2S and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide
Also Known As: 2-(tert-butylsulfonyl)-2-[2-(4-chlorophenyl)hydrazono]acetonitrile, 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide, (1E)-1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide, [N-[(4-chlorophenyl)amino]-C-tert-butylsulfonyl-carbonimidoyl]formonitrile, N-(4-CHLOROPHENYL)-1-(2-METHYLPROPANE-2-SULFONYL)METHANECARBOHYDRAZONOYL CYANIDE
| Molecular Formula | C12H14ClN3O2S |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 2.80228 |
| Topological Polar Surface Area | 82.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.04953 |
| Heavy Atoms | 19 |
| Complexity | 622.4237 |
Chemical Identifiers
| CAS Number | 338976-15-1 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C(=NNC1=CC=C(C=C1)Cl)C#N |
Product Overview
1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide (CAS 338976-15-1), with molecular formula C12H14ClN3O2S and molecular weight 299.05 g/mol. IUPAC: 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide.
Chemical Property Profile of 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide
Property Insights of 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide
The XLogP value of 2.80228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide. The TPSA of 82.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide. Following Lipinski's Rule of Five, 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide has 1 hydrogen bond donor(s) and 5 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-chloroanilino)methanimidoyl cyanide?
The CAS number of 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide is 338976-15-1.
What is the molecular formula of 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide?
The molecular formula of 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide is C12H14ClN3O2S.
What is the molecular weight of 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide?
The molecular weight of 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide is 299.05 g/mol.
Where can I buy 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide?
You can request a quote for 1-tert-butylsulfonyl-N-(4-chloroanilino)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-chloroanilino)methanimidoyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butylsulfonyl-N-(4-chloroanilino)methanimidoyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.