4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide
TL;DR: 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide (CAS 898645-79-9) is a chemical compound with molecular formula C13H20BrNO3S and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide
Also Known As: starbld0002440, 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide, VU0606893-1, AP-263/43417908, [(4-bromo-2,5-dimethylphenyl)sulfonyl](3-ethoxypropyl)amine
| Molecular Formula | C13H20BrNO3S |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 2.77084 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.03473 |
| Heavy Atoms | 19 |
| Complexity | 528.935 |
Chemical Identifiers
| CAS Number | 898645-79-9 |
|---|---|
| SMILES | CCOCCCNS(=O)(=O)C1=C(C=C(C(=C1)C)Br)C |
Product Overview
4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide (CAS 898645-79-9), with molecular formula C13H20BrNO3S and molecular weight 349.03 g/mol. IUPAC: 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide.
Chemical Property Profile of 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide
Property Insights of 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide
The XLogP value of 2.77084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide. With a topological polar surface area (TPSA) of 55.4 Ų, 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide has 1 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 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide?
The CAS number of 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide is 898645-79-9.
What is the molecular formula of 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide?
The molecular formula of 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide is C13H20BrNO3S.
What is the molecular weight of 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide?
The molecular weight of 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide is 349.03 g/mol.
Where can I buy 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide?
You can request a quote for 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(3-ethoxypropyl)-2,5-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.