Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate
TL;DR: Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate (CAS 1002673-81-5) is a chemical compound with molecular formula C18H18ClFN2O3 and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamate
Also Known As: Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate, tert-butyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamate
| Molecular Formula | C18H18ClFN2O3 |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 5.0784 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.099 |
| Heavy Atoms | 25 |
| Complexity | 803.14844 |
Chemical Identifiers
| CAS Number | 1002673-81-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl |
Product Overview
Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate (CAS 1002673-81-5), with molecular formula C18H18ClFN2O3 and molecular weight 364.10 g/mol. IUPAC: tert-butyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamate.
Chemical Property Profile of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate
Property Insights of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate
The XLogP value of 5.0784 indicates that Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate. Following Lipinski's Rule of Five, Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate?
The CAS number of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate is 1002673-81-5.
What is the molecular formula of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate?
The molecular formula of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate is C18H18ClFN2O3.
What is the molecular weight of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate?
The molecular weight of Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate is 364.10 g/mol.
Where can I buy Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate?
You can request a quote for Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate 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-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-(3-chloro-4-fluorophenylcarbamoyl)phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.