4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
TL;DR: 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid (CAS 853902-04-2) is a chemical compound with molecular formula C16H12FNO2S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Also Known As: 4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid, 4-(4-fluorophenyl)-2H,3H-benzo[b]1,4-thiazepine-2-carboxylic acid, 5-(4-fluorophenyl)-2-thia-6-azabicyclo[5.4.0]undeca-5,7,9,11-tetraene-3-carboxylic Acid, C16H12FNO2S
| Molecular Formula | C16H12FNO2S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 3.8955 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.05728 |
| Heavy Atoms | 21 |
| Complexity | 712.47186 |
Chemical Identifiers
| CAS Number | 853902-04-2 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)F)C(=O)O |
Product Overview
4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid (CAS 853902-04-2), with molecular formula C16H12FNO2S and molecular weight 301.06 g/mol. IUPAC: 4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid.
Chemical Property Profile of 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Property Insights of 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
The XLogP value of 3.8955 indicates that 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.66 Ų, 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid 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 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The CAS number of 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 853902-04-2.
What is the molecular formula of 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular formula of 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is C16H12FNO2S.
What is the molecular weight of 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular weight of 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 301.06 g/mol.
Where can I buy 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
You can request a quote for 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-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 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.