1-萘亚甲基丙二腈
TL;DR: 1-萘亚甲基丙二腈 (CAS 2972-83-0) is a chemical compound with molecular formula C14H8N2 and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-萘亚甲基丙二腈
2-(naphthalen-1-ylmethylidene)propanedinitrile
Also Known As: (1-Naphthylmethylene)malononitrile, naphthalene deriv. 22, 1-Naphthylmethylenemalononitrile, 2-(naphthalen-1-ylmethylene)malononitrile, MALONONITRILE, (1-NAPHTHYLMETHYLENE)-
| Molecular Formula | C14H8N2 |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.06874 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 2972-83-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C=C(C#N)C#N |
| InChIKey | HNVAUTUJXUMGPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-萘亚甲基丙二腈 (CAS 2972-83-0), with molecular formula C14H8N2 and molecular weight 204.07 g/mol. IUPAC: 2-(naphthalen-1-ylmethylidene)propanedinitrile.
Chemical Property Profile of 1-萘亚甲基丙二腈
Property Insights of 1-萘亚甲基丙二腈
The XLogP value of 3.2 indicates that 1-萘亚甲基丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 1-萘亚甲基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-萘亚甲基丙二腈 has 0 hydrogen bond donor(s) and 2 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-萘亚甲基丙二腈?
The CAS number of 1-萘亚甲基丙二腈 is 2972-83-0.
What is the molecular formula of 1-萘亚甲基丙二腈?
The molecular formula of 1-萘亚甲基丙二腈 is C14H8N2.
What is the molecular weight of 1-萘亚甲基丙二腈?
The molecular weight of 1-萘亚甲基丙二腈 is 204.07 g/mol.
Where can I buy 1-萘亚甲基丙二腈?
You can request a quote for 1-萘亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-萘亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 1-萘亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.