2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
TL;DR: 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 301331-77-1) is a chemical compound with molecular formula C22H18BrNS and molecular weight 407.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
Also Known As: ChemDiv1_020477, BAS 00533414, 2-(4-bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine, F0163-0036, 2-(4-bromophenyl)-4-(p-tolyl)-2,3-dihydrobenzo[b][1,4]thiazepine
| Molecular Formula | C22H18BrNS |
|---|---|
| Molecular Weight | 407.03 g/mol |
| LogP | 7.11542 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.03433 |
| Heavy Atoms | 25 |
| Complexity | 913.5171 |
Chemical Identifiers
| CAS Number | 301331-77-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC=C(C=C4)Br |
Product Overview
2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 301331-77-1), with molecular formula C22H18BrNS and molecular weight 407.03 g/mol. IUPAC: 2-(4-bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
Property Insights of 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 7.11542 indicates that 2-(4-Bromophenyl)-4-(4-methylphenyl)-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, 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-4-(4-methylphenyl)-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 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine is 301331-77-1.
What is the molecular formula of 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine is C22H18BrNS.
What is the molecular weight of 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine is 407.03 g/mol.
Where can I buy 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 2-(4-Bromophenyl)-4-(4-methylphenyl)-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 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.