2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
TL;DR: 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 4434-29-1) is a chemical compound with molecular formula C15H12ClNOS and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: J3.547.191J, 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 2-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, A2513/0106764, 2-(2-chlorophenyl)-2H,3H,5H-benzo[b]1,4-thiazepin-4-one
| Molecular Formula | C15H12ClNOS |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.0328 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 4434-29-1 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2NC1=O)C3=CC=CC=C3Cl |
| InChIKey | BSAMUXGUUZNQGJ-UHFFFAOYSA-N |
Product Overview
2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 4434-29-1), with molecular formula C15H12ClNOS and molecular weight 289.03 g/mol. IUPAC: 2-(2-chlorophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Property Insights of 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
The XLogP value of 3.5 indicates that 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one has 1 hydrogen bond donor(s) and 2 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 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The CAS number of 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 4434-29-1.
What is the molecular formula of 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is C15H12ClNOS.
What is the molecular weight of 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 289.03 g/mol.
Where can I buy 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.