Itramin Tosylate
TL;DR: Itramin Tosylate (CAS 13445-63-1) is a chemical compound with molecular formula C9H14N2O6S and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethyl nitrate;4-methylbenzenesulfonic acid
Also Known As: Itramin tosylate, Cardisan, Tostramin, Nilatil, Tostram
| Molecular Formula | C9H14N2O6S |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.05725 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 13445-63-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C(CO[N+](=O)[O-])N |
| InChIKey | HPPBBWMYZVALRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Itramin Tosylate (CAS 13445-63-1), with molecular formula C9H14N2O6S and molecular weight 278.06 g/mol. IUPAC: 2-aminoethyl nitrate;4-methylbenzenesulfonic acid.
Chemical Property Profile of Itramin Tosylate
Property Insights of Itramin Tosylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Itramin Tosylate. The TPSA of 144.0 Ų indicates high polarity, suggesting Itramin Tosylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Itramin Tosylate has 2 hydrogen bond donor(s) and 7 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 Itramin Tosylate?
The CAS number of Itramin Tosylate is 13445-63-1.
What is the molecular formula of Itramin Tosylate?
The molecular formula of Itramin Tosylate is C9H14N2O6S.
What is the molecular weight of Itramin Tosylate?
The molecular weight of Itramin Tosylate is 278.06 g/mol.
Where can I buy Itramin Tosylate?
You can request a quote for Itramin Tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itramin Tosylate?
Yes, KEHONG BIO provides custom synthesis services for Itramin Tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.