![4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile structure](/static/products/1690/169036-67-3.webp)
4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile
TL;DR: 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile (CAS 169036-67-3) is a chemical compound with molecular formula C19H25N3 and molecular weight 295.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(heptylamino)methyl]pyrrol-1-yl]benzonitrile
Also Known As: 4-[2-[(heptylamino)methyl]pyrrol-1-yl]benzonitrile, 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile, 4-{2-[(Heptylamino)methyl]-1H-pyrrol-1-yl}benzonitrile
| Molecular Formula | C19H25N3 |
|---|---|
| Molecular Weight | 295.20 g/mol |
| LogP | 4.40898 |
| Topological Polar Surface Area | 40.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 295.20483 |
| Heavy Atoms | 22 |
| Complexity | 589.888 |
Chemical Identifiers
| CAS Number | 169036-67-3 |
|---|---|
| SMILES | CCCCCCCNCC1=CC=CN1C2=CC=C(C=C2)C#N |
Product Overview
4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile (CAS 169036-67-3), with molecular formula C19H25N3 and molecular weight 295.20 g/mol. IUPAC: 4-[2-[(heptylamino)methyl]pyrrol-1-yl]benzonitrile.
Chemical Property Profile of 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile
Property Insights of 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile
The XLogP value of 4.40898 indicates that 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.75 Ų, 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile has 1 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 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile?
The CAS number of 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile is 169036-67-3.
What is the molecular formula of 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile?
The molecular formula of 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile is C19H25N3.
What is the molecular weight of 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile?
The molecular weight of 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile is 295.20 g/mol.
Where can I buy 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile?
You can request a quote for 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-[(Heptylamino)methyl]-1H-pyrrol-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.