1,2-乙二胺4-甲基苯磺酸盐(1:?)
TL;DR: 1,2-乙二胺4-甲基苯磺酸盐(1:?) (CAS 16515-58-5) is a chemical compound with molecular formula C9H16N2O3S and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-乙二胺4-甲基苯磺酸盐(1:?)
ethane-1,2-diamine;4-methylbenzenesulfonic acid
Also Known As: ethylenediamine p-toluenesulfonate, Ethylenediamine p-toluenesulphonate, Ethane-1,2-diamine, ethylendiamine tosylate, ethylenediamine monotosylate
| Molecular Formula | C9H16N2O3S |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 0.14552 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.08817 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 16515-58-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C(CN)N |
| InChIKey | HVCCFMAPGCBCHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-乙二胺4-甲基苯磺酸盐(1:?) (CAS 16515-58-5), with molecular formula C9H16N2O3S and molecular weight 232.09 g/mol. IUPAC: ethane-1,2-diamine;4-methylbenzenesulfonic acid.
Chemical Property Profile of 1,2-乙二胺4-甲基苯磺酸盐(1:?)
Property Insights of 1,2-乙二胺4-甲基苯磺酸盐(1:?)
The XLogP value of 0.14552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-乙二胺4-甲基苯磺酸盐(1:?). The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-乙二胺4-甲基苯磺酸盐(1:?). Following Lipinski's Rule of Five, 1,2-乙二胺4-甲基苯磺酸盐(1:?) has 3 hydrogen bond donor(s) and 5 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 1,2-乙二胺4-甲基苯磺酸盐(1:?)?
The CAS number of 1,2-乙二胺4-甲基苯磺酸盐(1:?) is 16515-58-5.
What is the molecular formula of 1,2-乙二胺4-甲基苯磺酸盐(1:?)?
The molecular formula of 1,2-乙二胺4-甲基苯磺酸盐(1:?) is C9H16N2O3S.
What is the molecular weight of 1,2-乙二胺4-甲基苯磺酸盐(1:?)?
The molecular weight of 1,2-乙二胺4-甲基苯磺酸盐(1:?) is 232.09 g/mol.
Where can I buy 1,2-乙二胺4-甲基苯磺酸盐(1:?)?
You can request a quote for 1,2-乙二胺4-甲基苯磺酸盐(1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-乙二胺4-甲基苯磺酸盐(1:?)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-乙二胺4-甲基苯磺酸盐(1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.