N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide
TL;DR: N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide (CAS 869075-45-6) is a chemical compound with molecular formula C18H22FN3O5S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoro-4-methoxyphenyl)sulfonylguanidine
Also Known As: F1857-0168, N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-fluoro-4-methoxybenzenesulfonyl)guanidine, 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoro-4-methoxyphenyl)sulfonylguanidine, N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide, 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoro-4-methoxy-phenyl)sulfonyl-guanidine
| Molecular Formula | C18H22FN3O5S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 1.6872 |
| Topological Polar Surface Area | 112.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.12643 |
| Heavy Atoms | 28 |
| Complexity | 963.6886 |
Chemical Identifiers
| CAS Number | 869075-45-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN=C(N)NS(=O)(=O)C2=CC(=C(C=C2)OC)F)OC |
Product Overview
N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide (CAS 869075-45-6), with molecular formula C18H22FN3O5S and molecular weight 411.13 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluoro-4-methoxyphenyl)sulfonylguanidine.
Chemical Property Profile of N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide
Property Insights of N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide
The XLogP value of 1.6872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide. The TPSA of 112.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide. Following Lipinski's Rule of Five, N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide has 2 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 N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide?
The CAS number of N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide is 869075-45-6.
What is the molecular formula of N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide?
The molecular formula of N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide is C18H22FN3O5S.
What is the molecular weight of N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide?
The molecular weight of N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide is 411.13 g/mol.
Where can I buy N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide?
You can request a quote for N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(N-(3,4-dimethoxyphenethyl)carbamimidoyl)-3-fluoro-4-methoxybenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.