4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
TL;DR: 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid (CAS 116274-70-5) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Also Known As: 1,5-Benzothiazepine-2-carboxylic acid, 2,3-dihydro-4-(4-methylphenyl)-, 4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid, 4-(4-methylphenyl)-2H,3H-benzo[b]1,4-thiazepine-2-carboxylic acid, 2,3-Dihydro-4-(4-methylphenyl)-1,5-benzothiazepine-2-carboxylic acid, 5-(4-methylphenyl)-2-thia-6-azabicyclo[5.4.0]undeca-5,7,9,11-tetraene-3-carboxylic Acid
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 4.06482 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 706.985 |
Chemical Identifiers
| CAS Number | 116274-70-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C(=O)O |
Product Overview
4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid (CAS 116274-70-5), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: 4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid.
Chemical Property Profile of 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Property Insights of 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
The XLogP value of 4.06482 indicates that 4-(4-Methylphenyl)-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-Methylphenyl)-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-Methylphenyl)-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-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The CAS number of 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 116274-70-5.
What is the molecular formula of 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular formula of 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is C17H15NO2S.
What is the molecular weight of 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular weight of 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 297.08 g/mol.
Where can I buy 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
You can request a quote for 4-(4-Methylphenyl)-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-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.