(2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester
TL;DR: (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester (CAS 125659-89-4) is a chemical compound with molecular formula C14H16N4O6 and molecular weight 336.107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Also Known As: (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester, methyl N-[2,5-bis(aziridin-1-yl)-4-(methoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate, (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbam ic acid, dimethyl ester, Carbamic acid,N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-,C,C'-dimethyl ester, dimethyl [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamate
Technical Specifications
| Molecular Formula | C14H16N4O6 |
| Molecular Weight | 336.107 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.107 Da |
| Heavy Atoms | 24 |
| Complexity | 642.0 |
| SMILES | COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OC)N3CC3 |
| InChIKey | TXIHYKAQJWLHOP-UHFFFAOYSA-N |
Chemical Property Profile of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester
Property Insights of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester
The XLogP value of -0.8 indicates that (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester. Following Lipinski's Rule of Five, (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester 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
What is the CAS number of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester?
The CAS number of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester is 125659-89-4.
What is the molecular formula of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester?
The molecular formula of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester is C14H16N4O6.
What is the molecular weight of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester?
The molecular weight of (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester is 336.107 g/mol.
Where can I buy (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester?
You can request a quote for (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester?
Yes, CoreyChem provides custom synthesis services for (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.