2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid
TL;DR: 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid (CAS 133804-52-1) is a chemical compound with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4-diazepan-1-yl)-5-propylbenzenesulfonic acid
Also Known As: 4-Hydroxyphenylaceticacid, 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid, 2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid, 2-(1,4-Diazepan-1-yl)-5-propylbenzene-1-sulfonic acid, 2-(1,4-diazepan-1-yl)-5-propyl-benzenesulfonic Acid
| Molecular Formula | C14H22N2O3S |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 1.6855 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.1351 |
| Heavy Atoms | 20 |
| Complexity | 549.5375 |
Chemical Identifiers
| CAS Number | 133804-52-1 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1)N2CCCNCC2)S(=O)(=O)O |
Product Overview
2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid (CAS 133804-52-1), with molecular formula C14H22N2O3S and molecular weight 298.14 g/mol. IUPAC: 2-(1,4-diazepan-1-yl)-5-propylbenzenesulfonic acid.
Chemical Property Profile of 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid
Property Insights of 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid
The XLogP value of 1.6855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid has 2 hydrogen bond donor(s) and 4 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 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid?
The CAS number of 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid is 133804-52-1.
What is the molecular formula of 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid?
The molecular formula of 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid is C14H22N2O3S.
What is the molecular weight of 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid?
The molecular weight of 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid is 298.14 g/mol.
Where can I buy 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid?
You can request a quote for 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.