![3-{[4-(Phenylamino)phenyl]amino}propanenitrile structure](/static/products/330/33017-95-7.png)
3-{[4-(Phenylamino)phenyl]amino}propanenitrile
TL;DR: 3-{[4-(Phenylamino)phenyl]amino}propanenitrile (CAS 33017-95-7) is a chemical compound with molecular formula C15H15N3 and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-anilinoanilino)propanenitrile
Also Known As: 3-(4-anilinoanilino)propanenitrile, 3-{[4-(phenylamino)phenyl]amino}propanenitrile, 3-[(4-anilinophenyl)amino]propanenitrile, 1-(tert-Butylamino)-3-(o-cyclopropylphenoxy)-2-propanol hydrochloride
| Molecular Formula | C15H15N3 |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.1266 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 33017-95-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)NCCC#N |
| InChIKey | MTVKQSYQAYQKNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{[4-(Phenylamino)phenyl]amino}propanenitrile (CAS 33017-95-7), with molecular formula C15H15N3 and molecular weight 237.13 g/mol. IUPAC: 3-(4-anilinoanilino)propanenitrile.
Chemical Property Profile of 3-{[4-(Phenylamino)phenyl]amino}propanenitrile
Property Insights of 3-{[4-(Phenylamino)phenyl]amino}propanenitrile
The XLogP value of 3.7 indicates that 3-{[4-(Phenylamino)phenyl]amino}propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 3-{[4-(Phenylamino)phenyl]amino}propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(Phenylamino)phenyl]amino}propanenitrile has 2 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 3-{[4-(Phenylamino)phenyl]amino}propanenitrile?
The CAS number of 3-{[4-(Phenylamino)phenyl]amino}propanenitrile is 33017-95-7.
What is the molecular formula of 3-{[4-(Phenylamino)phenyl]amino}propanenitrile?
The molecular formula of 3-{[4-(Phenylamino)phenyl]amino}propanenitrile is C15H15N3.
What is the molecular weight of 3-{[4-(Phenylamino)phenyl]amino}propanenitrile?
The molecular weight of 3-{[4-(Phenylamino)phenyl]amino}propanenitrile is 237.13 g/mol.
Where can I buy 3-{[4-(Phenylamino)phenyl]amino}propanenitrile?
You can request a quote for 3-{[4-(Phenylamino)phenyl]amino}propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(Phenylamino)phenyl]amino}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(Phenylamino)phenyl]amino}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.