3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid
TL;DR: 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid (CAS 216574-47-9) is a chemical compound with molecular formula C14H21NO4S and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
Also Known As: METHYL2-AMINO-6-FLUOROBENZOATE, 3-TERT-BUTOXYCARBONYLAMINO-5-TERT-BUTYLTHIOPHENE-2-CARBOXYLIC ACID, 3-{[(tert-butoxy)carbonyl]amino}-5-tert-butylthiophene-2-carboxylic acid, 3-((tert-Butoxycarbonyl)amino)-5-(tert-butyl)thiophene-2-carboxylic acid, 3-(n-carbo-tert-butoxyamino)-5-tert-butylthiophene-2-carboxylic acid
| Molecular Formula | C14H21NO4S |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 4.0908 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.11914 |
| Heavy Atoms | 20 |
| Complexity | 520.2567 |
Chemical Identifiers
| CAS Number | 216574-47-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)OC(C)(C)C |
Product Overview
3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid (CAS 216574-47-9), with molecular formula C14H21NO4S and molecular weight 299.12 g/mol. IUPAC: 5-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
Chemical Property Profile of 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid
Property Insights of 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid
The XLogP value of 4.0908 indicates that 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-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 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-tert-butylthiophene-2-carboxylic acid?
The CAS number of 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid is 216574-47-9.
What is the molecular formula of 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid?
The molecular formula of 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid is C14H21NO4S.
What is the molecular weight of 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid?
The molecular weight of 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid is 299.12 g/mol.
Where can I buy 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid?
You can request a quote for 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-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-tert-butylthiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butoxycarbonylamino-5-tert-butylthiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.