![tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate structure](/static/products/101/1016690-90-6.png)
tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate
TL;DR: tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate (CAS 1016690-90-6) is a chemical compound with molecular formula C14H19BrN2O3 and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate
Also Known As: tert-butyl 3-(3-bromophenylamino)-3-oxopropylcarbamate, tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate
| Molecular Formula | C14H19BrN2O3 |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 3.3024 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.05792 |
| Heavy Atoms | 20 |
| Complexity | 483.55252 |
Chemical Identifiers
| CAS Number | 1016690-90-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC(=O)NC1=CC(=CC=C1)Br |
Product Overview
tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate (CAS 1016690-90-6), with molecular formula C14H19BrN2O3 and molecular weight 342.06 g/mol. IUPAC: tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate.
Chemical Property Profile of tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate
Property Insights of tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate
The XLogP value of 3.3024 indicates that tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate 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 N-[3-(3-bromoanilino)-3-oxopropyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]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 tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate?
The CAS number of tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate is 1016690-90-6.
What is the molecular formula of tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate?
The molecular formula of tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate is C14H19BrN2O3.
What is the molecular weight of tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate?
The molecular weight of tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate is 342.06 g/mol.
Where can I buy tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate?
You can request a quote for tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]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-[3-(3-bromoanilino)-3-oxopropyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[3-(3-bromoanilino)-3-oxopropyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.