Tert-butyl N-(4-bromothiophen-3-yl)carbamate
TL;DR: Tert-butyl N-(4-bromothiophen-3-yl)carbamate (CAS 119485-57-3) is a chemical compound with molecular formula C9H12BrNO2S and molecular weight 276.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-bromothiophen-3-yl)carbamate
Also Known As: Tert-butyl N-(4-bromothiophen-3-yl)carbamate, tert-butyl (4-bromothiophen-3-yl)carbamate, 3-(Boc-amino)-4-bromothiophene, tert-butyl N-(4-bromo-3-thienyl)carbamate, Tert-butylN-(4-bromothiophen-3-yl)carbamate
| Molecular Formula | C9H12BrNO2S |
|---|---|
| Molecular Weight | 276.98 g/mol |
| LogP | 3.8576 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.9772 |
| Heavy Atoms | 14 |
| Complexity | 329.7981 |
Chemical Identifiers
| CAS Number | 119485-57-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CSC=C1Br |
Product Overview
Tert-butyl N-(4-bromothiophen-3-yl)carbamate (CAS 119485-57-3), with molecular formula C9H12BrNO2S and molecular weight 276.98 g/mol. IUPAC: tert-butyl N-(4-bromothiophen-3-yl)carbamate.
Chemical Property Profile of Tert-butyl N-(4-bromothiophen-3-yl)carbamate
Property Insights of Tert-butyl N-(4-bromothiophen-3-yl)carbamate
The XLogP value of 3.8576 indicates that Tert-butyl N-(4-bromothiophen-3-yl)carbamate 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 N-(4-bromothiophen-3-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl N-(4-bromothiophen-3-yl)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-(4-bromothiophen-3-yl)carbamate?
The CAS number of Tert-butyl N-(4-bromothiophen-3-yl)carbamate is 119485-57-3.
What is the molecular formula of Tert-butyl N-(4-bromothiophen-3-yl)carbamate?
The molecular formula of Tert-butyl N-(4-bromothiophen-3-yl)carbamate is C9H12BrNO2S.
What is the molecular weight of Tert-butyl N-(4-bromothiophen-3-yl)carbamate?
The molecular weight of Tert-butyl N-(4-bromothiophen-3-yl)carbamate is 276.98 g/mol.
Where can I buy Tert-butyl N-(4-bromothiophen-3-yl)carbamate?
You can request a quote for Tert-butyl N-(4-bromothiophen-3-yl)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-(4-bromothiophen-3-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl N-(4-bromothiophen-3-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.