1-Naphthaleneacetonitrile,a-phenyl-
TL;DR: 1-Naphthaleneacetonitrile,a-phenyl- (CAS 375815-87-5) is a chemical compound with molecular formula C18H13N and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-2-phenylacetonitrile
Also Known As: bis-hydroxycoumarin, 1-Naphthaleneacetonitrile,a-phenyl-, naphthalen-1-yl(phenyl)acetonitrile, 2-naphthalen-1-yl-2-phenylacetonitrile, (Naphthalen-1-yl)(phenyl)acetonitrile
| Molecular Formula | C18H13N |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.1048 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 375815-87-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC3=CC=CC=C32 |
| InChIKey | DJHWWEPQEQVCLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthaleneacetonitrile,a-phenyl- (CAS 375815-87-5), with molecular formula C18H13N and molecular weight 243.10 g/mol. IUPAC: 2-naphthalen-1-yl-2-phenylacetonitrile.
Chemical Property Profile of 1-Naphthaleneacetonitrile,a-phenyl-
Property Insights of 1-Naphthaleneacetonitrile,a-phenyl-
The XLogP value of 4.8 indicates that 1-Naphthaleneacetonitrile,a-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Naphthaleneacetonitrile,a-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetonitrile,a-phenyl- has 0 hydrogen bond donor(s) and 1 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-Naphthaleneacetonitrile,a-phenyl-?
The CAS number of 1-Naphthaleneacetonitrile,a-phenyl- is 375815-87-5.
What is the molecular formula of 1-Naphthaleneacetonitrile,a-phenyl-?
The molecular formula of 1-Naphthaleneacetonitrile,a-phenyl- is C18H13N.
What is the molecular weight of 1-Naphthaleneacetonitrile,a-phenyl-?
The molecular weight of 1-Naphthaleneacetonitrile,a-phenyl- is 243.10 g/mol.
Where can I buy 1-Naphthaleneacetonitrile,a-phenyl-?
You can request a quote for 1-Naphthaleneacetonitrile,a-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthaleneacetonitrile,a-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthaleneacetonitrile,a-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.