1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol
TL;DR: 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol (CAS 832-49-5) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylideneaziridin-1-yl)but-3-en-2-ol
Also Known As: 3-Buten-2-amine,3-bromo, 1-(2-methylideneaziridin-1-yl)but-3-en-2-ol, KST-1B8814, 1-Aziridineethanol, a-ethenyl-2-methylene-
| Molecular Formula | C7H11NO |
|---|---|
| Molecular Weight | 125.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 23.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 125.08406 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 832-49-5 |
|---|---|
| SMILES | C=CC(CN1CC1=C)O |
| InChIKey | ZMEHFJUUPFQAHX-UHFFFAOYSA-N |
Product Overview
1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol (CAS 832-49-5), with molecular formula C7H11NO and molecular weight 125.08 g/mol. IUPAC: 1-(2-methylideneaziridin-1-yl)but-3-en-2-ol.
Chemical Property Profile of 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol
Property Insights of 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol. With a topological polar surface area (TPSA) of 23.2 Ų, 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol 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 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol?
The CAS number of 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol is 832-49-5.
What is the molecular formula of 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol?
The molecular formula of 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol is C7H11NO.
What is the molecular weight of 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol?
The molecular weight of 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol is 125.08 g/mol.
Where can I buy 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol?
You can request a quote for 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylideneaziridin-1-yl)but-3-en-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.