4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
TL;DR: 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 305377-71-3) is a chemical compound with molecular formula C22H18BrNOS and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Also Known As: ChemDiv1_022368, 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine, J3.516.169D, AE-848/32611021, F0472-0013
| Molecular Formula | C22H18BrNOS |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 6.8156 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.02924 |
| Heavy Atoms | 26 |
| Complexity | 935.1159 |
Chemical Identifiers
| CAS Number | 305377-71-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br |
Product Overview
4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 305377-71-3), with molecular formula C22H18BrNOS and molecular weight 423.03 g/mol. IUPAC: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Property Insights of 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 6.8156 indicates that 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-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 21.59 Ų, 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 3 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-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine is 305377-71-3.
What is the molecular formula of 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine is C22H18BrNOS.
What is the molecular weight of 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine is 423.03 g/mol.
Where can I buy 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.