3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid
TL;DR: 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid (CAS 688763-44-2) is a chemical compound with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid
Also Known As: 3-{[(tert-butoxy)carbonyl]amino}-5-(3-nitrophenyl)thiophene-2-carboxylic acid, 3-TERT-BUTOXYCARBONYLAMINO-5-(3-NITROPHENYL)THIOPHENE-2-CARBOXYLIC ACID, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic Acid
| Molecular Formula | C16H16N2O6S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 4.3685 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.0729 |
| Heavy Atoms | 25 |
| Complexity | 837.39075 |
Chemical Identifiers
| CAS Number | 688763-44-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O |
Product Overview
3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid (CAS 688763-44-2), with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid.
Chemical Property Profile of 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid
Property Insights of 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid
The XLogP value of 4.3685 indicates that 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 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 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid?
The CAS number of 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid is 688763-44-2.
What is the molecular formula of 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid?
The molecular formula of 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid is C16H16N2O6S.
What is the molecular weight of 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid?
The molecular weight of 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid is 364.07 g/mol.
Where can I buy 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid?
You can request a quote for 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)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 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butoxycarbonylamino-5-(3-nitrophenyl)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.