2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile
TL;DR: 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile (CAS 370071-46-8) is a chemical compound with molecular formula C18H15ClN2S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-6-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
Also Known As: 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile, 4-(4-chlorophenyl)-6-cyclopropyl-2-(prop-2-en-1-ylsulfanyl)pyridine-3-carbonitrile, 4-(4-chlorophenyl)-6-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
| Molecular Formula | C18H15ClN2S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 5.42918 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.06445 |
| Heavy Atoms | 22 |
| Complexity | 742.91785 |
Chemical Identifiers
| CAS Number | 370071-46-8 |
|---|---|
| SMILES | C=CCSC1=C(C(=CC(=N1)C2CC2)C3=CC=C(C=C3)Cl)C#N |
Product Overview
2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile (CAS 370071-46-8), with molecular formula C18H15ClN2S and molecular weight 326.06 g/mol. IUPAC: 4-(4-chlorophenyl)-6-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile
Property Insights of 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile
The XLogP value of 5.42918 indicates that 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile 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-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile?
The CAS number of 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile is 370071-46-8.
What is the molecular formula of 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile?
The molecular formula of 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile is C18H15ClN2S.
What is the molecular weight of 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile?
The molecular weight of 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile is 326.06 g/mol.
Where can I buy 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile?
You can request a quote for 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylthio)-4-(4-chlorophenyl)-6-cyclopropylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.