2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
TL;DR: 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 17017-57-1) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,5-bis(benzylamino)-3,6-dimethoxy-1,4-benzoquinone, 2,5-bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-di, 2,5-Cyclohexadiene-1,4-dione,2,5-dimethoxy-3,6-bis[(phenylmethyl)amino]-
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 17017-57-1 |
|---|---|
| SMILES | COC1=C(C(=O)C(=C(C1=O)NCC2=CC=CC=C2)OC)NCC3=CC=CC=C3 |
| InChIKey | SZRUJTJWELGKFF-UHFFFAOYSA-N |
Product Overview
2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 17017-57-1), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: 2,5-bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Property Insights of 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 3.8 indicates that 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione has 2 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 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione is 17017-57-1.
What is the molecular formula of 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione is C22H22N2O4.
What is the molecular weight of 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione is 378.16 g/mol.
Where can I buy 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(benzylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.