Tert-butyl 3,4-dichlorophenylcarbamate
TL;DR: Tert-butyl 3,4-dichlorophenylcarbamate (CAS 25217-40-7) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3,4-dichlorophenyl)carbamate
Also Known As: tert-butyl 3,4-dichlorophenylcarbamate, tert-butyl N-(3,4-dichlorophenyl)carbamate, tert-butyl3,4-dichlorophenylcarbamate, tert-butyl (3,4-dichlorophenyl)carbamate, N-(3,4-dichlorophenyl)(tert-butoxy)carboxamide
| Molecular Formula | C11H13Cl2NO2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 4.3404 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.03235 |
| Heavy Atoms | 16 |
| Complexity | 399.4613 |
Chemical Identifiers
| CAS Number | 25217-40-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
Tert-butyl 3,4-dichlorophenylcarbamate (CAS 25217-40-7), with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol. IUPAC: tert-butyl N-(3,4-dichlorophenyl)carbamate.
Chemical Property Profile of Tert-butyl 3,4-dichlorophenylcarbamate
Property Insights of Tert-butyl 3,4-dichlorophenylcarbamate
The XLogP value of 4.3404 indicates that Tert-butyl 3,4-dichlorophenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Tert-butyl 3,4-dichlorophenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3,4-dichlorophenylcarbamate 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 Tert-butyl 3,4-dichlorophenylcarbamate?
The CAS number of Tert-butyl 3,4-dichlorophenylcarbamate is 25217-40-7.
What is the molecular formula of Tert-butyl 3,4-dichlorophenylcarbamate?
The molecular formula of Tert-butyl 3,4-dichlorophenylcarbamate is C11H13Cl2NO2.
What is the molecular weight of Tert-butyl 3,4-dichlorophenylcarbamate?
The molecular weight of Tert-butyl 3,4-dichlorophenylcarbamate is 261.03 g/mol.
Where can I buy Tert-butyl 3,4-dichlorophenylcarbamate?
You can request a quote for Tert-butyl 3,4-dichlorophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3,4-dichlorophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3,4-dichlorophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.