3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide
TL;DR: 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide (CAS 869075-20-7) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)sulfonyl-2-(2-phenylethyl)guanidine
Also Known As: N-(3,4-dimethylbenzenesulfonyl)-N'-(2-phenylethyl)guanidine, 1-(3,4-dimethylphenyl)sulfonyl-2-phenethylguanidine, 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide, F1857-0006, 1-(3,4-dimethylphenyl)sulfonyl-2-(2-phenylethyl)guanidine
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.13914 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 799.84314 |
Chemical Identifiers
| CAS Number | 869075-20-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(=NCCC2=CC=CC=C2)N)C |
Product Overview
3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide (CAS 869075-20-7), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 1-(3,4-dimethylphenyl)sulfonyl-2-(2-phenylethyl)guanidine.
Chemical Property Profile of 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide
Property Insights of 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide
The XLogP value of 2.13914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide. Following Lipinski's Rule of Five, 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide has 2 hydrogen bond donor(s) and 3 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 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide?
The CAS number of 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide is 869075-20-7.
What is the molecular formula of 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide?
The molecular formula of 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide is C17H21N3O2S.
What is the molecular weight of 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide?
The molecular weight of 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide is 331.14 g/mol.
Where can I buy 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide?
You can request a quote for 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-(N-phenethylcarbamimidoyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.