1bn4
TL;DR: 1bn4 (CAS 165117-67-9) is a chemical compound with molecular formula C12H14N2O5S3 and molecular weight 362.0065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide
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
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14N2O5S3 |
| Molecular Weight | 362.0065 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.0065 Da |
| Heavy Atoms | 22 |
| Complexity | 559.0 |
| SMILES | COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(S2)S(=O)(=O)N |
| InChIKey | LRRAIRJIZOLGPR-UHFFFAOYSA-N |
Product Description
Applications: 1bn4 is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 1bn4 (CAS 165117-67-9) has the molecular formula C12H14N2O5S3 and a molecular weight of 362.01 g/mol. Synonyms include AL5927 and 1bn4.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1bn4
Property Insights of 1bn4
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1bn4. The TPSA of 161.0 Ų indicates high polarity, suggesting 1bn4 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
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 362.0065 g/mol.
What are the applications of 1bn4?
1bn4 is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 1bn4?
You can request a quote for 1bn4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1bn4?
Yes, CoreyChem provides custom synthesis services for 1bn4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.