![(3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate structure](/static/products/5230/5230-80-8.webp)
(3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
TL;DR: (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate (CAS 5230-80-8) is a chemical compound with molecular formula C22H32N4O8 and molecular weight 480.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Also Known As: (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate, Bis(3-hydroxy-2,2-dimethylpropyl) [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamate, Carbamic acid,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, bis(3-hydroxy-2,2-dimethylpropyl) ester
| Molecular Formula | C22H32N4O8 |
|---|---|
| Molecular Weight | 480.22 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 480.22202 |
| Heavy Atoms | 34 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 5230-80-8 |
|---|---|
| SMILES | CC(C)(CO)COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC(C)(C)CO)N3CC3 |
| InChIKey | IFHRTDFFFVFZOO-UHFFFAOYSA-N |
Product Overview
(3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate (CAS 5230-80-8), with molecular formula C22H32N4O8 and molecular weight 480.22 g/mol. IUPAC: (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate.
Chemical Property Profile of (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
Property Insights of (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate. The TPSA of 157.0 Ų indicates high polarity, suggesting (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate has 4 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 (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate?
The CAS number of (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate is 5230-80-8.
What is the molecular formula of (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate?
The molecular formula of (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate is C22H32N4O8.
What is the molecular weight of (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate?
The molecular weight of (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate is 480.22 g/mol.
Where can I buy (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate?
You can request a quote for (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for (3-hydroxy-2,2-dimethylpropyl) N-[2,5-bis(aziridin-1-yl)-4-[(3-hydroxy-2,2-dimethylpropoxy)carbonylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.