4-硝基苯肼
TL;DR: 4-硝基苯肼 (CAS 100-16-3) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯肼
6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol
Also Known As: 7-Hydroxy Quetiapine, 7-HYDROXYQUETIAPINE, 7-Hydroxy ICI 204636, ICI 214227, MSK10224-100M
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 100-16-3 |
|---|---|
| SMILES | C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42 |
| InChIKey | VEGVCHRFYPFJFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯肼 (CAS 100-16-3), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol.
Chemical Property Profile of 4-硝基苯肼
Property Insights of 4-硝基苯肼
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯肼. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯肼. Following Lipinski's Rule of Five, 4-硝基苯肼 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-硝基苯肼?
The CAS number of 4-硝基苯肼 is 100-16-3.
What is the molecular formula of 4-硝基苯肼?
The molecular formula of 4-硝基苯肼 is C21H25N3O3S.
What is the molecular weight of 4-硝基苯肼?
The molecular weight of 4-硝基苯肼 is 399.16 g/mol.
Where can I buy 4-硝基苯肼?
You can request a quote for 4-硝基苯肼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯肼?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯肼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.