EINECS 257-912-9
TL;DR: EINECS 257-912-9 (CAS 52434-61-4) is a chemical compound with molecular formula C16H28N4O2 and molecular weight 308.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(aziridine-1-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]aziridine-1-carboxamide
Also Known As: 1-(((3-(((Aziridin-1-ylcarbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)amino)carbonyl)aziridine, n-(3-{[(aziridin-1-ylcarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)aziridine-1-carboxamide, N-[[5-(aziridine-1-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]aziridine-1-carboxamide, 1-[[[3-[[(AZIRIDIN-1-YLCARBONYL)AMINO]METHYL]-3,5,5-TRIMETHYLCYCLOHEXYL]AMINO]CARBONYL]AZIRIDINE, 1-[[[3-[[(1-Aziridinylcarbonyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]aziridine
| Molecular Formula | C16H28N4O2 |
|---|---|
| Molecular Weight | 308.22 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.22122 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 52434-61-4 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CNC(=O)N2CC2)NC(=O)N3CC3)C |
| InChIKey | FLHDPLTVNAMNOE-UHFFFAOYSA-N |
Product Overview
EINECS 257-912-9 (CAS 52434-61-4), with molecular formula C16H28N4O2 and molecular weight 308.22 g/mol. IUPAC: N-[[5-(aziridine-1-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]aziridine-1-carboxamide.
Chemical Property Profile of EINECS 257-912-9
Property Insights of EINECS 257-912-9
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 257-912-9. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 257-912-9. Following Lipinski's Rule of Five, EINECS 257-912-9 has 2 hydrogen bond donor(s) and 2 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 EINECS 257-912-9?
The CAS number of EINECS 257-912-9 is 52434-61-4.
What is the molecular formula of EINECS 257-912-9?
The molecular formula of EINECS 257-912-9 is C16H28N4O2.
What is the molecular weight of EINECS 257-912-9?
The molecular weight of EINECS 257-912-9 is 308.22 g/mol.
Where can I buy EINECS 257-912-9?
You can request a quote for EINECS 257-912-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 257-912-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 257-912-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.