4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
TL;DR: 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid (CAS 116274-72-7) is a chemical compound with molecular formula C16H12ClNO2S and molecular weight 317.02774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Also Known As: 4-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid, AN-829/37377004, (E)-4-(4-Chlorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid, 4-(4-chlorophenyl)-2H,3H-benzo[b]1,4-thiazepine-2-carboxylic acid, 4-(4-Chlorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine-2-carboxylic acid
Technical Specifications
| Molecular Formula | C16H12ClNO2S |
| Molecular Weight | 317.02774 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.02774 Da |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
| SMILES | C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)O |
| InChIKey | KDHATOHQYYFMNE-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
Property Insights of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
The XLogP value of 3.8 indicates that 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The CAS number of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 116274-72-7.
What is the molecular formula of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular formula of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is C16H12ClNO2S.
What is the molecular weight of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
The molecular weight of 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid is 317.02774 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
You can request a quote for 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.