Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate
TL;DR: Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate (CAS 69796-16-3) is a chemical compound with molecular formula C6H10Cl3NO3 and molecular weight 248.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Also Known As: isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate, isopropyl n-(1-hydroxy-2,2,2-trichloroethyl)carbamate, Propan-2-yl N-(2,2,2-trichloro-1-hydroxy-ethyl)carbamate, propan-2-yl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
| Molecular Formula | C6H10Cl3NO3 |
|---|---|
| Molecular Weight | 248.97 g/mol |
| LogP | 1.8096 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.97263 |
| Heavy Atoms | 13 |
| Complexity | 180.45352 |
Chemical Identifiers
| CAS Number | 69796-16-3 |
|---|---|
| SMILES | CC(C)OC(=O)NC(C(Cl)(Cl)Cl)O |
Product Overview
Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate (CAS 69796-16-3), with molecular formula C6H10Cl3NO3 and molecular weight 248.97 g/mol. IUPAC: propan-2-yl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate.
Chemical Property Profile of Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate
Property Insights of Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate
The XLogP value of 1.8096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate. With a topological polar surface area (TPSA) of 58.56 Ų, Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate has 2 hydrogen bond donor(s) and 3 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 Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate?
The CAS number of Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate is 69796-16-3.
What is the molecular formula of Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate?
The molecular formula of Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate is C6H10Cl3NO3.
What is the molecular weight of Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate?
The molecular weight of Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate is 248.97 g/mol.
Where can I buy Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate?
You can request a quote for Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2,2,2-trichloro-1-hydroxyethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.