4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
TL;DR: 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine (CAS 64820-47-9) is a chemical compound with molecular formula C21H16BrNS and molecular weight 393.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
Also Known As: ChemDiv1_027308, 4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine, J2.595.166B, 1,5-Benzothiazepine, 4-(4-bromophenyl)-2,3-dihydro-2-phenyl-, AJ-091/33279013
| Molecular Formula | C21H16BrNS |
|---|---|
| Molecular Weight | 393.02 g/mol |
| LogP | 6.807 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.01868 |
| Heavy Atoms | 24 |
| Complexity | 871.8553 |
Chemical Identifiers
| CAS Number | 64820-47-9 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
Product Overview
4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine (CAS 64820-47-9), with molecular formula C21H16BrNS and molecular weight 393.02 g/mol. IUPAC: 4-(4-bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
Property Insights of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 6.807 indicates that 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine is 64820-47-9.
What is the molecular formula of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine is C21H16BrNS.
What is the molecular weight of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine is 393.02 g/mol.
Where can I buy 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.