RefChem:205561
TL;DR: RefChem:205561 (CAS 125659-91-8) is a chemical compound with molecular formula C20H28N4O6 and molecular weight 420.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-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, bis(2-methylpropyl) ester, 2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate, (2,5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)biscarbamic acid,bis(2-methylpropyl) ester, Bis(2-methylpropyl) [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamate, RefChem:205561
| Molecular Formula | C20H28N4O6 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 420.2009 |
| Heavy Atoms | 30 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 125659-91-8 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC(C)C)N3CC3 |
| InChIKey | OVACVEGEVSBZGQ-UHFFFAOYSA-N |
Product Overview
RefChem:205561 (CAS 125659-91-8), with molecular formula C20H28N4O6 and molecular weight 420.20 g/mol. IUPAC: 2-methylpropyl N-[2,5-bis(aziridin-1-yl)-4-(2-methylpropoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate.
Chemical Property Profile of RefChem:205561
Property Insights of RefChem:205561
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:205561. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:205561. Following Lipinski's Rule of Five, RefChem:205561 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 RefChem:205561?
The CAS number of RefChem:205561 is 125659-91-8.
What is the molecular formula of RefChem:205561?
The molecular formula of RefChem:205561 is C20H28N4O6.
What is the molecular weight of RefChem:205561?
The molecular weight of RefChem:205561 is 420.20 g/mol.
Where can I buy RefChem:205561?
You can request a quote for RefChem:205561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:205561?
Yes, KEHONG BIO provides custom synthesis services for RefChem:205561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.