1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate
TL;DR: 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate (CAS 5110-72-5) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(aziridin-1-yl)but-3-en-2-yl ethyl carbonate
Also Known As: 1-(aziridin-1-yl)but-3-en-2-yl ethyl carbonate
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 5110-72-5 |
|---|---|
| SMILES | CCOC(=O)OC(CN1CC1)C=C |
| InChIKey | GDURJHKNWPUYPI-UHFFFAOYSA-N |
Product Overview
1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate (CAS 5110-72-5), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: 1-(aziridin-1-yl)but-3-en-2-yl ethyl carbonate.
Chemical Property Profile of 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate
Property Insights of 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate. With a topological polar surface area (TPSA) of 38.5 Ų, 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate has 0 hydrogen bond donor(s) and 4 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-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate?
The CAS number of 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate is 5110-72-5.
What is the molecular formula of 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate?
The molecular formula of 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate is C9H15NO3.
What is the molecular weight of 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate?
The molecular weight of 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate is 185.11 g/mol.
Where can I buy 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate?
You can request a quote for 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Aziridin-1-yl)but-3-en-2-yl ethyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.