N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺
TL;DR: N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺 (CAS 165117-67-9) is a chemical compound with molecular formula C12H14N2O5S3 and molecular weight 362.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺
2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide
Also Known As: 1bn4, n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide, N-(4-methoxybenzyl)thiophene-2,5-disulfonamide, J2.890.579C, 2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide
| Molecular Formula | C12H14N2O5S3 |
|---|---|
| Molecular Weight | 362.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.0065 |
| Heavy Atoms | 22 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 165117-67-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)S(=O)(=O)N |
| InChIKey | LRRAIRJIZOLGPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺 (CAS 165117-67-9), with molecular formula C12H14N2O5S3 and molecular weight 362.01 g/mol. IUPAC: 2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide.
Chemical Property Profile of N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺
Property Insights of N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺. The TPSA of 161.0 Ų indicates high polarity, suggesting N-(4-甲氧基苄基)噻吩-2,5-二磺酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1bn4 has 2 hydrogen bond donor(s) and 8 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 1bn4?
The CAS number of 1bn4 is 165117-67-9.
What is the molecular formula of 1bn4?
The molecular formula of 1bn4 is C12H14N2O5S3.
What is the molecular weight of 1bn4?
The molecular weight of 1bn4 is 362.01 g/mol.
Where can I buy 1bn4?
You can request a quote for 1bn4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1bn4?
Yes, KEHONG BIO provides custom synthesis services for 1bn4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.