N-butyl-2-cyanoaziridine-1-carboxamide
TL;DR: N-butyl-2-cyanoaziridine-1-carboxamide (CAS 219501-41-4) is a chemical compound with molecular formula C8H13N3O and molecular weight 167.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-cyanoaziridine-1-carboxamide
Also Known As: 1-Aziridinecarboxamide, N-butyl-2-cyano-, N-Butyl-2-cyanoaziridine-1-carboxamide, N-butyl-2-cyano-aziridine-1-carboxamide, J1.081.241K
| Molecular Formula | C8H13N3O |
|---|---|
| Molecular Weight | 167.11 g/mol |
| LogP | 0.70388 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.10587 |
| Heavy Atoms | 12 |
| Complexity | 208.83873 |
Chemical Identifiers
| CAS Number | 219501-41-4 |
|---|---|
| SMILES | CCCCNC(=O)N1CC1C#N |
Product Overview
N-butyl-2-cyanoaziridine-1-carboxamide (CAS 219501-41-4), with molecular formula C8H13N3O and molecular weight 167.11 g/mol. IUPAC: N-butyl-2-cyanoaziridine-1-carboxamide.
Chemical Property Profile of N-butyl-2-cyanoaziridine-1-carboxamide
Property Insights of N-butyl-2-cyanoaziridine-1-carboxamide
The XLogP value of 0.70388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-cyanoaziridine-1-carboxamide. With a topological polar surface area (TPSA) of 55.9 Ų, N-butyl-2-cyanoaziridine-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-2-cyanoaziridine-1-carboxamide has 1 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 N-butyl-2-cyanoaziridine-1-carboxamide?
The CAS number of N-butyl-2-cyanoaziridine-1-carboxamide is 219501-41-4.
What is the molecular formula of N-butyl-2-cyanoaziridine-1-carboxamide?
The molecular formula of N-butyl-2-cyanoaziridine-1-carboxamide is C8H13N3O.
What is the molecular weight of N-butyl-2-cyanoaziridine-1-carboxamide?
The molecular weight of N-butyl-2-cyanoaziridine-1-carboxamide is 167.11 g/mol.
Where can I buy N-butyl-2-cyanoaziridine-1-carboxamide?
You can request a quote for N-butyl-2-cyanoaziridine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-cyanoaziridine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-cyanoaziridine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.