tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate
TL;DR: tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate (CAS 631861-08-0) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate
Also Known As: tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate, Tert-butyl N-(2-benzoyl-4-chloro-phenyl)carbamate
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 4.918 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 720.7917 |
Chemical Identifiers
| CAS Number | 631861-08-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2 |
Product Overview
tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate (CAS 631861-08-0), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate.
Chemical Property Profile of tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate
Property Insights of tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate
The XLogP value of 4.918 indicates that tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate has 1 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 tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate?
The CAS number of tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate is 631861-08-0.
What is the molecular formula of tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate?
The molecular formula of tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate is C18H18ClNO3.
What is the molecular weight of tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate?
The molecular weight of tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate is 331.10 g/mol.
Where can I buy tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate?
You can request a quote for tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(2-benzoyl-4-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.