![6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol structure](/static/products/899/899397-59-2.png)
6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
TL;DR: 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol (CAS 899397-59-2) is a chemical compound with molecular formula C22H14N2O3S and molecular weight 386.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-nitrophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
Also Known As: ChemDiv1_022571, DivK1c_003835, CDS1_002795, BAS 01306886, 11-(3-nitrophenyl)-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-12-ol
| Molecular Formula | C22H14N2O3S |
|---|---|
| Molecular Weight | 386.07 g/mol |
| LogP | 5.4613 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.0725 |
| Heavy Atoms | 28 |
| Complexity | 1185.6592 |
Chemical Identifiers
| CAS Number | 899397-59-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol (CAS 899397-59-2), with molecular formula C22H14N2O3S and molecular weight 386.07 g/mol. IUPAC: 11-(3-nitrophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
Chemical Property Profile of 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
Property Insights of 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
The XLogP value of 5.4613 indicates that 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol. Following Lipinski's Rule of Five, 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol 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 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol?
The CAS number of 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol is 899397-59-2.
What is the molecular formula of 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol?
The molecular formula of 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol is C22H14N2O3S.
What is the molecular weight of 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol?
The molecular weight of 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol is 386.07 g/mol.
Where can I buy 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol?
You can request a quote for 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-nitrophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.