1-tert-Butyl-3-ethylcarbodiimide
TL;DR: 1-tert-Butyl-3-ethylcarbodiimide (CAS 1433-27-8) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-tert-butyl-N-ethylmethanediimine
Also Known As: 1-tert-Butyl-3-ethylcarbodiimide, 1-Tert-Butyl-3 ethylcarbodimide, ethyl dimethylethylcarbodiimide, 1-t-butyl-3-ethylcarbodiimide, 1-(tert-Butyl)-3-ethylcarbodiimide
| Molecular Formula | C7H14N2 |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 1.9787 |
| Topological Polar Surface Area | 24.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 124.341805 |
Chemical Identifiers
| CAS Number | 1433-27-8 |
|---|---|
| SMILES | CCN=C=NC(C)(C)C |
Product Overview
1-tert-Butyl-3-ethylcarbodiimide (CAS 1433-27-8), with molecular formula C7H14N2 and molecular weight 126.12 g/mol. IUPAC: N'-tert-butyl-N-ethylmethanediimine.
Chemical Property Profile of 1-tert-Butyl-3-ethylcarbodiimide
Property Insights of 1-tert-Butyl-3-ethylcarbodiimide
The XLogP value of 1.9787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl-3-ethylcarbodiimide. With a topological polar surface area (TPSA) of 24.72 Ų, 1-tert-Butyl-3-ethylcarbodiimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-3-ethylcarbodiimide has 0 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 1-tert-Butyl-3-ethylcarbodiimide?
The CAS number of 1-tert-Butyl-3-ethylcarbodiimide is 1433-27-8.
What is the molecular formula of 1-tert-Butyl-3-ethylcarbodiimide?
The molecular formula of 1-tert-Butyl-3-ethylcarbodiimide is C7H14N2.
What is the molecular weight of 1-tert-Butyl-3-ethylcarbodiimide?
The molecular weight of 1-tert-Butyl-3-ethylcarbodiimide is 126.12 g/mol.
Where can I buy 1-tert-Butyl-3-ethylcarbodiimide?
You can request a quote for 1-tert-Butyl-3-ethylcarbodiimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-3-ethylcarbodiimide?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-3-ethylcarbodiimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.