chlorosulfinyl nitrile
TL;DR: chlorosulfinyl nitrile (CAS 17178-87-9) is a chemical compound with molecular formula C25H20BrN3O6 and molecular weight 537.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(5-bromo-2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Also Known As: chlorosulfinyl nitrile, N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-bromo-4-hydroxy-6-oxo, N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-bromo-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide, N-[2-benzo[1,3]dioxol-5-yl-1-[[1-(3-bromo-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]carbamoyl]ethenyl]benzamide, N-[2-BENZO[1,3]DIOXOL-5-YL-1-[[1-(3-BROMO-4-HYDROXY-6-OXO-1-CYCLOHEXA-2,4-DIENYLIDENE)ETHYLAMINO]CARBAMOYL]VINYL]BENZAMIDE
| Molecular Formula | C25H20BrN3O6 |
|---|---|
| Molecular Weight | 537.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.0535 |
| Heavy Atoms | 35 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 17178-87-9 |
|---|---|
| SMILES | CC(=NNC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4O)O)Br |
| InChIKey | DMYAXUZKNOUYSS-UHFFFAOYSA-N |
Product Overview
chlorosulfinyl nitrile (CAS 17178-87-9), with molecular formula C25H20BrN3O6 and molecular weight 537.05 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(5-bromo-2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of chlorosulfinyl nitrile
Property Insights of chlorosulfinyl nitrile
The XLogP value of 4.3 indicates that chlorosulfinyl nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for chlorosulfinyl nitrile. Following Lipinski's Rule of Five, chlorosulfinyl nitrile has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of chlorosulfinyl nitrile?
The CAS number of chlorosulfinyl nitrile is 17178-87-9.
What is the molecular formula of chlorosulfinyl nitrile?
The molecular formula of chlorosulfinyl nitrile is C25H20BrN3O6.
What is the molecular weight of chlorosulfinyl nitrile?
The molecular weight of chlorosulfinyl nitrile is 537.05 g/mol.
Where can I buy chlorosulfinyl nitrile?
You can request a quote for chlorosulfinyl nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for chlorosulfinyl nitrile?
Yes, KEHONG BIO provides custom synthesis services for chlorosulfinyl nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.