4-Carboxy-N-(4-isopropylbenzylidene)aniline
TL;DR: 4-Carboxy-N-(4-isopropylbenzylidene)aniline (CAS 3939-25-1) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-propan-2-ylphenyl)methylideneamino]benzoic acid
Also Known As: Maybridge1_003647, 4-CARBOXY-N-(4-ISOPROPYLBENZYLIDENE)ANILINE, 4-[(4-propan-2-ylphenyl)methylideneamino]benzoic acid, 4-[(4-Isopropyl-benzylidene)-amino]-benzoic acid, 664-913-1
| Molecular Formula | C17H17NO2 |
|---|---|
| Molecular Weight | 267.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.12592 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 3939-25-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O |
| InChIKey | ZOEAKFKAMYYVRC-UHFFFAOYSA-N |
Product Overview
4-Carboxy-N-(4-isopropylbenzylidene)aniline (CAS 3939-25-1), with molecular formula C17H17NO2 and molecular weight 267.13 g/mol. IUPAC: 4-[(4-propan-2-ylphenyl)methylideneamino]benzoic acid.
Chemical Property Profile of 4-Carboxy-N-(4-isopropylbenzylidene)aniline
Property Insights of 4-Carboxy-N-(4-isopropylbenzylidene)aniline
The XLogP value of 4.7 indicates that 4-Carboxy-N-(4-isopropylbenzylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 4-Carboxy-N-(4-isopropylbenzylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Carboxy-N-(4-isopropylbenzylidene)aniline has 1 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 4-Carboxy-N-(4-isopropylbenzylidene)aniline?
The CAS number of 4-Carboxy-N-(4-isopropylbenzylidene)aniline is 3939-25-1.
What is the molecular formula of 4-Carboxy-N-(4-isopropylbenzylidene)aniline?
The molecular formula of 4-Carboxy-N-(4-isopropylbenzylidene)aniline is C17H17NO2.
What is the molecular weight of 4-Carboxy-N-(4-isopropylbenzylidene)aniline?
The molecular weight of 4-Carboxy-N-(4-isopropylbenzylidene)aniline is 267.13 g/mol.
Where can I buy 4-Carboxy-N-(4-isopropylbenzylidene)aniline?
You can request a quote for 4-Carboxy-N-(4-isopropylbenzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxy-N-(4-isopropylbenzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxy-N-(4-isopropylbenzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.