Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-
TL;DR: Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- (CAS 3029-67-2) is a chemical compound with molecular formula C4H6Cl3NO and molecular weight 188.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(aziridin-1-yl)-2,2,2-trichloroethanol
Also Known As: alpha-(Trichloromethyl)-1-aziridinemethanol, 1-(1-Aziridinyl)-2,2,2-trichloroethanol, Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-, alpha-Trichloromethyl-1-aziridinemethanol, 1-(Aziridin-1-yl)-2,2,2-trichloroethan-1-ol
| Molecular Formula | C4H6Cl3NO |
|---|---|
| Molecular Weight | 188.95 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.95149 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 3029-67-2 |
|---|---|
| SMILES | C1CN1C(C(Cl)(Cl)Cl)O |
| InChIKey | SIWVVQVQIQEIOK-UHFFFAOYSA-N |
Product Overview
Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- (CAS 3029-67-2), with molecular formula C4H6Cl3NO and molecular weight 188.95 g/mol. IUPAC: 1-(aziridin-1-yl)-2,2,2-trichloroethanol.
Chemical Property Profile of Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-
Property Insights of Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-. With a topological polar surface area (TPSA) of 23.2 Ų, Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- 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 Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-?
The CAS number of Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- is 3029-67-2.
What is the molecular formula of Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-?
The molecular formula of Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- is C4H6Cl3NO.
What is the molecular weight of Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-?
The molecular weight of Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- is 188.95 g/mol.
Where can I buy Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-?
You can request a quote for Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 1-(1-aziridinyl)-2,2,2-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.