![10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide structure](/static/products/1020/1020719-90-7.webp)
10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
TL;DR: 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide (CAS 1020719-90-7) is a chemical compound with molecular formula C27H18ClN3O5S and molecular weight 531.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)methyl]-N-(3-nitrophenyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
Also Known As: 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide, 5-[(3-chlorophenyl)methyl]-N-(3-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-(3-nitrophenyl)-11-oxo-, 5-oxide
| Molecular Formula | C27H18ClN3O5S |
|---|---|
| Molecular Weight | 531.07 g/mol |
| LogP | 5.8276 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.06555 |
| Heavy Atoms | 37 |
| Complexity | 1606.7354 |
Chemical Identifiers
| CAS Number | 1020719-90-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C3=C(S2=O)C=CC(=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC(=CC=C5)Cl |
Product Overview
10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide (CAS 1020719-90-7), with molecular formula C27H18ClN3O5S and molecular weight 531.07 g/mol. IUPAC: 5-[(3-chlorophenyl)methyl]-N-(3-nitrophenyl)-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide.
Chemical Property Profile of 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
Property Insights of 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
The XLogP value of 5.8276 indicates that 10-(3-chlorobenzyl)-N-(3-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 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(3-chlorobenzyl)-N-(3-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-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide has 1 hydrogen bond donor(s) and 5 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-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
The CAS number of 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide is 1020719-90-7.
What is the molecular formula of 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
The molecular formula of 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide is C27H18ClN3O5S.
What is the molecular weight of 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide?
The molecular weight of 10-(3-chlorobenzyl)-N-(3-nitrophenyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide is 531.07 g/mol.
Where can I buy 10-(3-chlorobenzyl)-N-(3-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-(3-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-(3-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-(3-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.