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Naphtho[2,3-d][1,3]dioxole-6-carbonitrile
TL;DR: Naphtho[2,3-d][1,3]dioxole-6-carbonitrile (CAS 4943-58-2) is a chemical compound with molecular formula C12H7NO2 and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[f][1,3]benzodioxole-6-carbonitrile
Also Known As: Naphtho[2,3-d][1,3]dioxole-6-carbonitrile, benzo[f][1,3]benzodioxole-6-carbonitrile, 4252AE, 2H-naphtho[2,3-d][1,3]dioxole-6-carbonitrile, NCI60_005830
| Molecular Formula | C12H7NO2 |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.04768 |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 4943-58-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C=C(C=CC3=C2)C#N |
| InChIKey | IKDFUPGVIMSEPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphtho[2,3-d][1,3]dioxole-6-carbonitrile (CAS 4943-58-2), with molecular formula C12H7NO2 and molecular weight 197.05 g/mol. IUPAC: benzo[f][1,3]benzodioxole-6-carbonitrile.
Chemical Property Profile of Naphtho[2,3-d][1,3]dioxole-6-carbonitrile
Property Insights of Naphtho[2,3-d][1,3]dioxole-6-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphtho[2,3-d][1,3]dioxole-6-carbonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, Naphtho[2,3-d][1,3]dioxole-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphtho[2,3-d][1,3]dioxole-6-carbonitrile 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 Naphtho[2,3-d][1,3]dioxole-6-carbonitrile?
The CAS number of Naphtho[2,3-d][1,3]dioxole-6-carbonitrile is 4943-58-2.
What is the molecular formula of Naphtho[2,3-d][1,3]dioxole-6-carbonitrile?
The molecular formula of Naphtho[2,3-d][1,3]dioxole-6-carbonitrile is C12H7NO2.
What is the molecular weight of Naphtho[2,3-d][1,3]dioxole-6-carbonitrile?
The molecular weight of Naphtho[2,3-d][1,3]dioxole-6-carbonitrile is 197.05 g/mol.
Where can I buy Naphtho[2,3-d][1,3]dioxole-6-carbonitrile?
You can request a quote for Naphtho[2,3-d][1,3]dioxole-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphtho[2,3-d][1,3]dioxole-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Naphtho[2,3-d][1,3]dioxole-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.