2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone
TL;DR: 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone (CAS 57998-69-3) is a chemical compound with molecular formula C18H24N4O6 and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Also Known As: 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone, ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-, Carbamic acid, (2,5-bis(2-methyl-1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis-, diethyl ester, 3,6-Bis(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-yl)-1,4-benzoquinone, Carbamic acid,5-bis(2-methyl-1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethyl ester
| Molecular Formula | C18H24N4O6 |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.1696 |
| Heavy Atoms | 28 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 57998-69-3 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2C)NC(=O)OCC)N3CC3C |
| InChIKey | DVLVSMSYUQZGPD-UHFFFAOYSA-N |
Product Overview
2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone (CAS 57998-69-3), with molecular formula C18H24N4O6 and molecular weight 392.17 g/mol. IUPAC: ethyl N-[4-(ethoxycarbonylamino)-2,5-bis(2-methylaziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate.
Chemical Property Profile of 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone
Property Insights of 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone. Following Lipinski's Rule of Five, 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone has 2 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 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone?
The CAS number of 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone is 57998-69-3.
What is the molecular formula of 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone?
The molecular formula of 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone is C18H24N4O6.
What is the molecular weight of 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone?
The molecular weight of 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone is 392.17 g/mol.
Where can I buy 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone?
You can request a quote for 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone 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(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(ethoxycarbonylamino)-3,6-bis(2-methyl-1-aziridinyl)-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.