![4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid structure](/static/products/5233/5233-90-9.webp)
4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
TL;DR: 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid (CAS 5233-90-9) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
Also Known As: BIM-0014769.P001, 4-[[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid, 4-{[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl}benzoic acid, 4-[(2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDO)METHYL]BENZOIC ACID
| Molecular Formula | C14H19NO5 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 0.3804 |
| Topological Polar Surface Area | 106.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.1263 |
| Heavy Atoms | 20 |
| Complexity | 480.84256 |
Chemical Identifiers
| CAS Number | 5233-90-9 |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)O |
Product Overview
4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid (CAS 5233-90-9), with molecular formula C14H19NO5 and molecular weight 281.13 g/mol. IUPAC: 4-[[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid.
Chemical Property Profile of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
Property Insights of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
The XLogP value of 0.3804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid. The TPSA of 106.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid has 4 hydrogen bond donor(s) and 4 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-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid?
The CAS number of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid is 5233-90-9.
What is the molecular formula of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid?
The molecular formula of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid is C14H19NO5.
What is the molecular weight of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid?
The molecular weight of 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid is 281.13 g/mol.
Where can I buy 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid?
You can request a quote for 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.