Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-
TL;DR: Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- (CAS 71721-77-2) is a chemical compound with molecular formula C13H5Cl2NO2 and molecular weight 276.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dichlorodibenzo-p-dioxin-2-carbonitrile
Also Known As: 7,8-dichlorodibenzo-p-dioxin-2-carbonitrile, Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-, 7,8-DICHLOROOXANTHRENE-2-CARBONITRILE
| Molecular Formula | C13H5Cl2NO2 |
|---|---|
| Molecular Weight | 276.97 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.96973 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 71721-77-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)OC3=CC(=C(C=C3O2)Cl)Cl |
| InChIKey | LKTITWMTDOBFII-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- (CAS 71721-77-2), with molecular formula C13H5Cl2NO2 and molecular weight 276.97 g/mol. IUPAC: 7,8-dichlorodibenzo-p-dioxin-2-carbonitrile.
Chemical Property Profile of Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-
Property Insights of Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-
The XLogP value of 4.9 indicates that Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- has 0 hydrogen bond donor(s) and 3 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 Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-?
The CAS number of Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- is 71721-77-2.
What is the molecular formula of Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-?
The molecular formula of Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- is C13H5Cl2NO2.
What is the molecular weight of Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-?
The molecular weight of Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- is 276.97 g/mol.
Where can I buy Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-?
You can request a quote for Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)(1,4)dioxin-2-carbonitrile, 7,8-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.