1-萘甲酰氰
TL;DR: 1-萘甲酰氰 (CAS 14271-86-4) is a chemical compound with molecular formula C12H7NO and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-萘甲酰氰
naphthalene-1-carbonyl cyanide
Also Known As: 1-Naphthoyl cyanide, 1-Naphthalenecarbonyl Cyanide, naphthalene-1-carbonyl cyanide, naphthoyl cyanide, N-Ethyl-p-toluidine
| Molecular Formula | C12H7NO |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.05276 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 14271-86-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)C#N |
| InChIKey | RITADAJGEQPFIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-萘甲酰氰 (CAS 14271-86-4), with molecular formula C12H7NO and molecular weight 181.05 g/mol. IUPAC: naphthalene-1-carbonyl cyanide.
Chemical Property Profile of 1-萘甲酰氰
Property Insights of 1-萘甲酰氰
The XLogP value of 3.2 indicates that 1-萘甲酰氰 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 1-萘甲酰氰 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-萘甲酰氰 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-萘甲酰氰?
The CAS number of 1-萘甲酰氰 is 14271-86-4.
What is the molecular formula of 1-萘甲酰氰?
The molecular formula of 1-萘甲酰氰 is C12H7NO.
What is the molecular weight of 1-萘甲酰氰?
The molecular weight of 1-萘甲酰氰 is 181.05 g/mol.
Where can I buy 1-萘甲酰氰?
You can request a quote for 1-萘甲酰氰 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-萘甲酰氰?
Yes, KEHONG BIO provides custom synthesis services for 1-萘甲酰氰 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.