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N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
TL;DR: N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide (CAS 220402-80-2) is a chemical compound with molecular formula C12H14N2O4S3 and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
Also Known As: 1bn1, THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE), N-(4-Methylbenzyl)thiophene-2,5-disulfonamide, N2-((4-Methylphenyl)methyl)thiophene-2,5-disulfonamide, 2,5-Thiophenedisulfonamide, N2-((4-methylphenyl)methyl)-
| Molecular Formula | C12H14N2O4S3 |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.01157 |
| Heavy Atoms | 21 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 220402-80-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)S(=O)(=O)N |
| InChIKey | GUNRMHMEAWSZQE-UHFFFAOYSA-N |
Product Overview
N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide (CAS 220402-80-2), with molecular formula C12H14N2O4S3 and molecular weight 346.01 g/mol. IUPAC: 2-N-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide.
Chemical Property Profile of N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
Property Insights of N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide. The TPSA of 151.0 Ų indicates high polarity, suggesting N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide has 2 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 N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide?
The CAS number of N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide is 220402-80-2.
What is the molecular formula of N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide?
The molecular formula of N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide is C12H14N2O4S3.
What is the molecular weight of N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide?
The molecular weight of N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide is 346.01 g/mol.
Where can I buy N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide?
You can request a quote for N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.