J1.581.367I
TL;DR: J1.581.367I (CAS 59886-40-7) is a chemical compound with molecular formula C22H34N6O4 and molecular weight 446.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(aziridin-1-yl)-3,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione
Also Known As: J1.581.367I, 2,5-bis(aziridin-1-yl)-3,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione, 2,5-bis(aziridin-1-yl)-3,6-bis[4-(2-hydroxyethyl)piperazin-1, 2,4-dione, 2,5-bis(1-aziridinyl)-3,6-bis[4-(2-hydroxyethyl)-1-piperazinyl]-, 2,5-Bis(aziridine-1-yl)-3,6-bis[4-(2-hydroxyethyl)piperazine-1-yl]-2,5-cyclohexadiene-1,4-dione
| Molecular Formula | C22H34N6O4 |
|---|---|
| Molecular Weight | 446.26 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.26416 |
| Heavy Atoms | 32 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 59886-40-7 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=C(C(=O)C(=C(C2=O)N3CC3)N4CCN(CC4)CCO)N5CC5 |
| InChIKey | QNRHXZMFMLQWAE-UHFFFAOYSA-N |
Product Overview
J1.581.367I (CAS 59886-40-7), with molecular formula C22H34N6O4 and molecular weight 446.26 g/mol. IUPAC: 2,5-bis(aziridin-1-yl)-3,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of J1.581.367I
Property Insights of J1.581.367I
The XLogP value of -0.5 indicates that J1.581.367I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.581.367I. Following Lipinski's Rule of Five, J1.581.367I has 2 hydrogen bond donor(s) and 10 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 J1.581.367I?
The CAS number of J1.581.367I is 59886-40-7.
What is the molecular formula of J1.581.367I?
The molecular formula of J1.581.367I is C22H34N6O4.
What is the molecular weight of J1.581.367I?
The molecular weight of J1.581.367I is 446.26 g/mol.
Where can I buy J1.581.367I?
You can request a quote for J1.581.367I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.581.367I?
Yes, KEHONG BIO provides custom synthesis services for J1.581.367I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.