![5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid structure](/static/products/6887/688763-40-8.webp)
5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid
TL;DR: 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid (CAS 688763-40-8) is a chemical compound with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
Also Known As: 5-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid, 3-TERT-BUTOXYCARBONYLAMINO-5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC ACID, 5-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic Acid
| Molecular Formula | C16H16BrNO4S |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 5.2228 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.99835 |
| Heavy Atoms | 23 |
| Complexity | 731.52875 |
Chemical Identifiers
| CAS Number | 688763-40-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)Br)C(=O)O |
Product Overview
5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid (CAS 688763-40-8), with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol. IUPAC: 5-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
Chemical Property Profile of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid
Property Insights of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid
The XLogP value of 5.2228 indicates that 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid?
The CAS number of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid is 688763-40-8.
What is the molecular formula of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid?
The molecular formula of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid is C16H16BrNO4S.
What is the molecular weight of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid?
The molecular weight of 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid is 397.00 g/mol.
Where can I buy 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid?
You can request a quote for 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.