4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile
TL;DR: 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile (CAS 147992-96-9) is a chemical compound with molecular formula C19H15N3S and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-2-benzylsulfanylpyridine-3-carbonitrile
Also Known As: 4-anilino-2-(benzylsulfanyl)nicotinonitrile, 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile, 2-(benzylthio)-4-(phenylamino)nicotinonitrile, 4-ANILINO-2-(BENZYLTHIO)NICOTINONITRILE, AH-262/34228048
| Molecular Formula | C19H15N3S |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 4.98918 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.09866 |
| Heavy Atoms | 23 |
| Complexity | 811.0233 |
Chemical Identifiers
| CAS Number | 147992-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=CC(=C2C#N)NC3=CC=CC=C3 |
Product Overview
4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile (CAS 147992-96-9), with molecular formula C19H15N3S and molecular weight 317.10 g/mol. IUPAC: 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile
Property Insights of 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile
The XLogP value of 4.98918 indicates that 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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-Anilino-2-benzylsulfanylpyridine-3-carbonitrile?
The CAS number of 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile is 147992-96-9.
What is the molecular formula of 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile?
The molecular formula of 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile is C19H15N3S.
What is the molecular weight of 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile?
The molecular weight of 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile is 317.10 g/mol.
Where can I buy 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile?
You can request a quote for 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.