4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine
TL;DR: 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine (CAS 1212291-62-7) is a chemical compound with molecular formula C22H20N2O2S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine
Also Known As: 4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine, F0318-0129, 2-(3-nitrophenyl)-4-(p-tolyl)-2,3,5a,9a-tetrahydrobenzo[b][1,4]thiazepine, 4-(4-methylphenyl)-2-(3-nitrophenyl)-5a,9a-dihydro-2H,3H,5aH,9aH-benzo[1,2-b]1 ,4-thiazepine
| Molecular Formula | C22H20N2O2S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 5.43372 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.12454 |
| Heavy Atoms | 27 |
| Complexity | 947.04004 |
Chemical Identifiers
| CAS Number | 1212291-62-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3C=CC=CC3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine (CAS 1212291-62-7), with molecular formula C22H20N2O2S and molecular weight 376.12 g/mol. IUPAC: 4-(4-methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine.
Chemical Property Profile of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine
Property Insights of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine
The XLogP value of 5.43372 indicates that 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-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)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine?
The CAS number of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine is 1212291-62-7.
What is the molecular formula of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine?
The molecular formula of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine is C22H20N2O2S.
What is the molecular weight of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine?
The molecular weight of 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine is 376.12 g/mol.
Where can I buy 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine?
You can request a quote for 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-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)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3,5a,9a-tetrahydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.