3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID
TL;DR: 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID (CAS 691393-95-0) is a chemical compound with molecular formula C17H18FNO4S and molecular weight 351.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
Also Known As: 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID, 5-(4-fluorophenyl)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic Acid, 3-tert-Butoxycarbonylamino-5-(4-fluorophenyl)-4-methylthiophene-2-carboxylicacid
| Molecular Formula | C17H18FNO4S |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 4.90782 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.09406 |
| Heavy Atoms | 24 |
| Complexity | 775.1236 |
Chemical Identifiers
| CAS Number | 691393-95-0 |
|---|---|
| SMILES | CC1=C(SC(=C1NC(=O)OC(C)(C)C)C(=O)O)C2=CC=C(C=C2)F |
Product Overview
3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID (CAS 691393-95-0), with molecular formula C17H18FNO4S and molecular weight 351.09 g/mol. IUPAC: 5-(4-fluorophenyl)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid.
Chemical Property Profile of 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID
Property Insights of 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID
The XLogP value of 4.90782 indicates that 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-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-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID. Following Lipinski's Rule of Five, 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-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-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID?
The CAS number of 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID is 691393-95-0.
What is the molecular formula of 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID?
The molecular formula of 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID is C17H18FNO4S.
What is the molecular weight of 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID?
The molecular weight of 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID is 351.09 g/mol.
Where can I buy 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID?
You can request a quote for 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-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-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 3-TERT-BUTOXYCARBONYLAMINO-5-(4-FLUOROPHENYL)-4-METHYLTHIOPHENE-2-CARBOXYLIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.