![3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid structure](/static/products/3134/313493-66-2.webp)
3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid
TL;DR: 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid (CAS 313493-66-2) is a chemical compound with molecular formula C22H27NO3 and molecular weight 353.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-ditert-butylbenzoyl)amino]benzoic acid
Also Known As: 3-[(3,5-ditert-butylbenzoyl)amino]benzoic Acid, AB01325073-02, 3-(3,5-DI-TERT-BUTYLBENZAMIDO)BENZOIC ACID, 3-{[(3,5-di-tert-butylphenyl)carbonyl]amino}benzoic acid
| Molecular Formula | C22H27NO3 |
|---|---|
| Molecular Weight | 353.20 g/mol |
| LogP | 5.2321 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1991 |
| Heavy Atoms | 26 |
| Complexity | 806.94635 |
Chemical Identifiers
| CAS Number | 313493-66-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C(C)(C)C |
Product Overview
3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid (CAS 313493-66-2), with molecular formula C22H27NO3 and molecular weight 353.20 g/mol. IUPAC: 3-[(3,5-ditert-butylbenzoyl)amino]benzoic acid.
Chemical Property Profile of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid
Property Insights of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid
The XLogP value of 5.2321 indicates that 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid?
The CAS number of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid is 313493-66-2.
What is the molecular formula of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid?
The molecular formula of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid is C22H27NO3.
What is the molecular weight of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid?
The molecular weight of 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid is 353.20 g/mol.
Where can I buy 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid?
You can request a quote for 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(3,5-Di-tert-butylphenyl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.