![4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate structure](/static/products/3314/331460-55-0.webp)
4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate
TL;DR: 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate (CAS 331460-55-0) is a chemical compound with molecular formula C22H21NO2S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(thiophen-2-ylmethylideneamino)phenyl] 4-tert-butylbenzoate
Also Known As: 4-[(2-thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate, [4-(thiophen-2-ylmethylideneamino)phenyl] 4-tert-butylbenzoate, 4-[(E)-[(thiophen-2-yl)methylidene]amino]phenyl 4-tert-butylbenzoate, 4-[(E)-[(thiophen-2-yl)methylidene]amino]phenyl4-tert-butylbenzoate
| Molecular Formula | C22H21NO2S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 6.0154 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.1293 |
| Heavy Atoms | 26 |
| Complexity | 886.82025 |
Chemical Identifiers
| CAS Number | 331460-55-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N=CC3=CC=CS3 |
Product Overview
4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate (CAS 331460-55-0), with molecular formula C22H21NO2S and molecular weight 363.13 g/mol. IUPAC: [4-(thiophen-2-ylmethylideneamino)phenyl] 4-tert-butylbenzoate.
Chemical Property Profile of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate
Property Insights of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate
The XLogP value of 6.0154 indicates that 4-[(2-Thienylmethylene)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 38.66 Ų, 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
The CAS number of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate is 331460-55-0.
What is the molecular formula of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
The molecular formula of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate is C22H21NO2S.
What is the molecular weight of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
The molecular weight of 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate is 363.13 g/mol.
Where can I buy 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
You can request a quote for 4-[(2-Thienylmethylene)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-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Thienylmethylene)amino]phenyl 4-(tert-butyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.