![tert-butyl N-[(3-bromobenzoyl)amino]carbamate structure](/static/products/4894/489455-69-8.webp)
tert-butyl N-[(3-bromobenzoyl)amino]carbamate
TL;DR: tert-butyl N-[(3-bromobenzoyl)amino]carbamate (CAS 489455-69-8) is a chemical compound with molecular formula C12H15BrN2O3 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(3-bromobenzoyl)amino]carbamate
Also Known As: tert-butyl N-[(3-bromobenzoyl)amino]carbamate, tert-butyl 2-(3-bromobenzoyl)hydrazinecarboxylate, 3-bromo-N'-[(tert-butoxy)carbonyl]benzohydrazide, 2-(3-bromobenzoyl)Hydrazinecarboxylic acid 1,1-dimethylethyl ester
| Molecular Formula | C12H15BrN2O3 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 2.6186 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.0266 |
| Heavy Atoms | 18 |
| Complexity | 454.8809 |
Chemical Identifiers
| CAS Number | 489455-69-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NNC(=O)C1=CC(=CC=C1)Br |
Product Overview
tert-butyl N-[(3-bromobenzoyl)amino]carbamate (CAS 489455-69-8), with molecular formula C12H15BrN2O3 and molecular weight 314.03 g/mol. IUPAC: tert-butyl N-[(3-bromobenzoyl)amino]carbamate.
Chemical Property Profile of tert-butyl N-[(3-bromobenzoyl)amino]carbamate
Property Insights of tert-butyl N-[(3-bromobenzoyl)amino]carbamate
The XLogP value of 2.6186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-[(3-bromobenzoyl)amino]carbamate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[(3-bromobenzoyl)amino]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[(3-bromobenzoyl)amino]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-bromobenzoyl)amino]carbamate?
The CAS number of tert-butyl N-[(3-bromobenzoyl)amino]carbamate is 489455-69-8.
What is the molecular formula of tert-butyl N-[(3-bromobenzoyl)amino]carbamate?
The molecular formula of tert-butyl N-[(3-bromobenzoyl)amino]carbamate is C12H15BrN2O3.
What is the molecular weight of tert-butyl N-[(3-bromobenzoyl)amino]carbamate?
The molecular weight of tert-butyl N-[(3-bromobenzoyl)amino]carbamate is 314.03 g/mol.
Where can I buy tert-butyl N-[(3-bromobenzoyl)amino]carbamate?
You can request a quote for tert-butyl N-[(3-bromobenzoyl)amino]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-bromobenzoyl)amino]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[(3-bromobenzoyl)amino]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.