![2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile structure](/static/products/1074/107488-15-3.webp)
2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile
TL;DR: 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile (CAS 107488-15-3) is a chemical compound with molecular formula C19H21ClN2O and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(4-heptoxyphenyl)pyridine-3-carbonitrile
Also Known As: 2-chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile, BAS 01277522, 2-chloro-6-(4-heptoxyphenyl)pyridine-3-carbonitrile, 2-Chloro-6-(4-heptyloxy-phenyl)-nicotinonitrile
| Molecular Formula | C19H21ClN2O |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 5.62288 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.13425 |
| Heavy Atoms | 23 |
| Complexity | 662.0601 |
Chemical Identifiers
| CAS Number | 107488-15-3 |
|---|---|
| SMILES | CCCCCCCOC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)Cl |
Product Overview
2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile (CAS 107488-15-3), with molecular formula C19H21ClN2O and molecular weight 328.13 g/mol. IUPAC: 2-chloro-6-(4-heptoxyphenyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile
Property Insights of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile
The XLogP value of 5.62288 indicates that 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile?
The CAS number of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile is 107488-15-3.
What is the molecular formula of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile?
The molecular formula of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile is C19H21ClN2O.
What is the molecular weight of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile?
The molecular weight of 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile is 328.13 g/mol.
Where can I buy 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile?
You can request a quote for 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-[4-(heptyloxy)phenyl]nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.