![4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate structure](/static/products/3314/331460-53-8.webp)
4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate
TL;DR: 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate (CAS 331460-53-8) is a chemical compound with molecular formula C25H23NO4 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 4-tert-butylbenzoate
Also Known As: 4-[(1,3-benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate, AA-768/32245049, [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 4-tert-butylbenzoate, 4-[(1,3-benzodioxol-5-ylmethylene)amino]phenyl 4-tert-butylbenzoate, 4-[(E)-[(2H-1,3-benzodioxol-5-yl)methylidene]amino]phenyl 4-tert-butylbenzoate
| Molecular Formula | C25H23NO4 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 5.6826 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.16272 |
| Heavy Atoms | 30 |
| Complexity | 1077.6266 |
Chemical Identifiers
| CAS Number | 331460-53-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4 |
Product Overview
4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate (CAS 331460-53-8), with molecular formula C25H23NO4 and molecular weight 401.16 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl] 4-tert-butylbenzoate.
Chemical Property Profile of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate
Property Insights of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate
The XLogP value of 5.6826 indicates that 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.12 Ų, 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
The CAS number of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate is 331460-53-8.
What is the molecular formula of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
The molecular formula of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate is C25H23NO4.
What is the molecular weight of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
The molecular weight of 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate is 401.16 g/mol.
Where can I buy 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
You can request a quote for 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3-Benzodioxol-5-ylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.