![10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide structure](/static/products/1020/1020719-87-2.webp)
10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
TL;DR: 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide (CAS 1020719-87-2) is a chemical compound with molecular formula C28H20ClN3O6S and molecular weight 561.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
Also Known As: 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide, 5-[(3-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide, Dibenzo[b,f][1,4]thiazepine-8-carboxamide, 10-[(3-chlorophenyl)methyl]-10,11-dihydro-N-(2-methoxy-5-nitrophenyl)-11-oxo-, 5-oxide
| Molecular Formula | C28H20ClN3O6S |
|---|---|
| Molecular Weight | 561.08 g/mol |
| LogP | 5.8362 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 561.0761 |
| Heavy Atoms | 39 |
| Complexity | 1675.1292 |
Chemical Identifiers
| CAS Number | 1020719-87-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl |
Product Overview
10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide (CAS 1020719-87-2), with molecular formula C28H20ClN3O6S and molecular weight 561.08 g/mol. IUPAC: 5-[(3-chlorophenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide.
Chemical Property Profile of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
Property Insights of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
The XLogP value of 5.8362 indicates that 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide. Following Lipinski's Rule of Five, 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
The CAS number of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide is 1020719-87-2.
What is the molecular formula of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
The molecular formula of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide is C28H20ClN3O6S.
What is the molecular weight of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
The molecular weight of 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide is 561.08 g/mol.
Where can I buy 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
You can request a quote for 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 10-(3-chlorobenzyl)-N-(2-methoxy-5-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.