4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
TL;DR: 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 315697-39-3) is a chemical compound with molecular formula C22H18N2O2S and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
Also Known As: NCI60_002215, 4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine, AE-848/32611023, 2-(3-(Hydroxy(oxido)amino)phenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine, 2-(3-nitrophenyl)-4-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine
| Molecular Formula | C22H18N2O2S |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.1089 |
| Heavy Atoms | 27 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 315697-39-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | PFFYFNYHJJAZOY-UHFFFAOYSA-N |
Product Overview
4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine (CAS 315697-39-3), with molecular formula C22H18N2O2S and molecular weight 374.11 g/mol. IUPAC: 4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
Property Insights of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 5.3 indicates that 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 4 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-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine is 315697-39-3.
What is the molecular formula of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine is C22H18N2O2S.
What is the molecular weight of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine is 374.11 g/mol.
Where can I buy 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 4-(4-Methylphenyl)-2-(3-nitrophenyl)-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-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.