Einecs 239-822-1
TL;DR: Einecs 239-822-1 (CAS 15728-19-5) is a chemical compound with molecular formula C13H20N2O7 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;3-nitrobenzoic acid
Also Known As: 2-[bis(2-hydroxyethyl)amino]ethanol; 3-nitrobenzoic acid, 3-nitrobenzoic acid- 2,2',2''-nitrilotriethanol(1:1), 3-Nitrobenzoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), m-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1), EINECS 239-822-1
| Molecular Formula | C13H20N2O7 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.12704 |
| Heavy Atoms | 22 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 15728-19-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O.C(CO)N(CCO)CCO |
| InChIKey | DQBDYJRBLYKJEX-UHFFFAOYSA-N |
Product Overview
Einecs 239-822-1 (CAS 15728-19-5), with molecular formula C13H20N2O7 and molecular weight 316.13 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;3-nitrobenzoic acid.
Chemical Property Profile of Einecs 239-822-1
Property Insights of Einecs 239-822-1
The XLogP value of -0.44 indicates that Einecs 239-822-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting Einecs 239-822-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 239-822-1 has 4 hydrogen bond donor(s) and 8 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 Einecs 239-822-1?
The CAS number of Einecs 239-822-1 is 15728-19-5.
What is the molecular formula of Einecs 239-822-1?
The molecular formula of Einecs 239-822-1 is C13H20N2O7.
What is the molecular weight of Einecs 239-822-1?
The molecular weight of Einecs 239-822-1 is 316.13 g/mol.
Where can I buy Einecs 239-822-1?
You can request a quote for Einecs 239-822-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 239-822-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 239-822-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.