butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
TL;DR: butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate (CAS 89774-72-1) is a chemical compound with molecular formula C7H12Cl3NO3 and molecular weight 262.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Also Known As: butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate, butyl (2,2,2-trichloro-1-hydroxyethyl)carbamate, Butyl n-(2,2,2-trichloro-1-hydroxy-ethyl)carbamate, butyl 2,2,2-trichloro-1-hydroxyethylcarbamate, Butyln-(2,2,2-trichloro-1-hydroxy-ethyl)carbamate
| Molecular Formula | C7H12Cl3NO3 |
|---|---|
| Molecular Weight | 262.99 g/mol |
| LogP | 2.2013 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.98828 |
| Heavy Atoms | 14 |
| Complexity | 183.50906 |
Chemical Identifiers
| CAS Number | 89774-72-1 |
|---|---|
| SMILES | CCCCOC(=O)NC(C(Cl)(Cl)Cl)O |
Product Overview
butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate (CAS 89774-72-1), with molecular formula C7H12Cl3NO3 and molecular weight 262.99 g/mol. IUPAC: butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate.
Chemical Property Profile of butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Property Insights of butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
The XLogP value of 2.2013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate. With a topological polar surface area (TPSA) of 58.56 Ų, butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate 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 butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The CAS number of butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is 89774-72-1.
What is the molecular formula of butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The molecular formula of butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is C7H12Cl3NO3.
What is the molecular weight of butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The molecular weight of butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is 262.99 g/mol.
Where can I buy butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
You can request a quote for butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.