4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile
TL;DR: 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile (CAS 4640-41-9) is a chemical compound with molecular formula C8H2Cl2N2O2 and molecular weight 227.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile
Also Known As: 4,5-Dichloro-3,6-dihydroxy-phthalonitrile, Dutasteride Impurity 21, Finasteride Impurity 8, Brexpiprazole Impurity A, 4,5-Dichloro-3,6-dihydroxyphthalonitrile
| Molecular Formula | C8H2Cl2N2O2 |
|---|---|
| Molecular Weight | 227.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.94933 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 4640-41-9 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1O)Cl)Cl)O)C#N |
| InChIKey | QNDGAROPZNKYNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile (CAS 4640-41-9), with molecular formula C8H2Cl2N2O2 and molecular weight 227.95 g/mol. IUPAC: 4,5-dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile
Property Insights of 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile
The XLogP value of 3.0 indicates that 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile has 2 hydrogen bond donor(s) and 4 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 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile?
The CAS number of 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile is 4640-41-9.
What is the molecular formula of 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile?
The molecular formula of 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile is C8H2Cl2N2O2.
What is the molecular weight of 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile?
The molecular weight of 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile is 227.95 g/mol.
Where can I buy 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile?
You can request a quote for 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.