4-(5-戊基-2-嘧啶基)苯甲腈
TL;DR: 4-(5-戊基-2-嘧啶基)苯甲腈 (CAS 59855-05-9) is a chemical compound with molecular formula C16H17N3 and molecular weight 251.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-戊基-2-嘧啶基)苯甲腈
4-(5-pentylpyrimidin-2-yl)benzonitrile
Also Known As: 4-(5-Pentylpyrimidin-2-yl)benzonitrile, 5-Pentyl-2-(p-cyanophenyl)pyrimidine, 2-(4-cyanophenyl)-5-n-pentylpyrimidine, Benzonitrile, 4-(5-pentyl-2-pyrimidinyl)-, 4-(5-pentyl-2-pyrimidinyl)Benzonitrile
| Molecular Formula | C16H17N3 |
|---|---|
| Molecular Weight | 251.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.14224 |
| Heavy Atoms | 19 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 59855-05-9 |
|---|---|
| SMILES | CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N |
| InChIKey | RGONNDWSVOCREF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(5-戊基-2-嘧啶基)苯甲腈 (CAS 59855-05-9), with molecular formula C16H17N3 and molecular weight 251.14 g/mol. IUPAC: 4-(5-pentylpyrimidin-2-yl)benzonitrile.
Chemical Property Profile of 4-(5-戊基-2-嘧啶基)苯甲腈
Property Insights of 4-(5-戊基-2-嘧啶基)苯甲腈
The XLogP value of 4.0 indicates that 4-(5-戊基-2-嘧啶基)苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, 4-(5-戊基-2-嘧啶基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-戊基-2-嘧啶基)苯甲腈 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 4-(5-戊基-2-嘧啶基)苯甲腈?
The CAS number of 4-(5-戊基-2-嘧啶基)苯甲腈 is 59855-05-9.
What is the molecular formula of 4-(5-戊基-2-嘧啶基)苯甲腈?
The molecular formula of 4-(5-戊基-2-嘧啶基)苯甲腈 is C16H17N3.
What is the molecular weight of 4-(5-戊基-2-嘧啶基)苯甲腈?
The molecular weight of 4-(5-戊基-2-嘧啶基)苯甲腈 is 251.14 g/mol.
Where can I buy 4-(5-戊基-2-嘧啶基)苯甲腈?
You can request a quote for 4-(5-戊基-2-嘧啶基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-戊基-2-嘧啶基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-戊基-2-嘧啶基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.