1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)
TL;DR: 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) (CAS 122-75-8) is a chemical compound with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;N,N'-dibenzylethane-1,2-diamine
Also Known As: Benzathine diacetate, N,N'-Dibenzylethylenediamine diacetate, DBED diacetate, dbeddiacetate, Benzathine
| Molecular Formula | C20H28N2O4 |
|---|---|
| Molecular Weight | 360.20 g/mol |
| LogP | 2.75 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.2049 |
| Heavy Atoms | 26 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 122-75-8 |
|---|---|
| SMILES | CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| InChIKey | MTRNNCLQPVCDLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) (CAS 122-75-8), with molecular formula C20H28N2O4 and molecular weight 360.20 g/mol. IUPAC: acetic acid;N,N'-dibenzylethane-1,2-diamine.
Chemical Property Profile of 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)
Property Insights of 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)
The XLogP value of 2.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2). The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2). Following Lipinski's Rule of Five, 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) has 4 hydrogen bond donor(s) and 6 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-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)?
The CAS number of 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) is 122-75-8.
What is the molecular formula of 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)?
The molecular formula of 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) is C20H28N2O4.
What is the molecular weight of 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)?
The molecular weight of 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) is 360.20 g/mol.
Where can I buy 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)?
You can request a quote for 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.