1,4-Dibutoxy-2,3-naphthalenedicarbonitrile
TL;DR: 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile (CAS 116453-89-5) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibutoxynaphthalene-2,3-dicarbonitrile
Also Known As: 1,4-dibutoxynaphthalene-2,3-dicarbonitrile, 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile, 2,3-Naphthalenedicarbonitrile, 1,4-dibutoxy-, 2,3-Naphthalenedicarbonitrile,1,4-dibutoxy-, 1 4-DIBUTOXY-2 3-NAPHTHALENEDI-
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 4.94096 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 718.29614 |
Chemical Identifiers
| CAS Number | 116453-89-5 |
|---|---|
| SMILES | CCCCOC1=C(C(=C(C2=CC=CC=C21)OCCCC)C#N)C#N |
Product Overview
1,4-Dibutoxy-2,3-naphthalenedicarbonitrile (CAS 116453-89-5), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 1,4-dibutoxynaphthalene-2,3-dicarbonitrile.
Chemical Property Profile of 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile
Property Insights of 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile
The XLogP value of 4.94096 indicates that 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile. Following Lipinski's Rule of Five, 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile has 0 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 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile?
The CAS number of 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile is 116453-89-5.
What is the molecular formula of 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile?
The molecular formula of 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile is C20H22N2O2.
What is the molecular weight of 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile?
The molecular weight of 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile is 322.17 g/mol.
Where can I buy 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile?
You can request a quote for 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibutoxy-2,3-naphthalenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.