![4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid structure](/static/products/7330/733031-25-9.webp)
4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid
TL;DR: 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid (CAS 733031-25-9) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoic acid
Also Known As: AB00722695-01, 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid, 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]benzoic Acid, 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoic acid, 4-[3-(2-Amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.49804 |
| Topological Polar Surface Area | 81.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 846.90564 |
Chemical Identifiers
| CAS Number | 733031-25-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C3=CSC(=N3)N |
Product Overview
4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid (CAS 733031-25-9), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoic acid.
Chemical Property Profile of 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid
Property Insights of 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid
The XLogP value of 3.49804 indicates that 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid has 2 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-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid?
The CAS number of 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid is 733031-25-9.
What is the molecular formula of 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid?
The molecular formula of 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid is C16H15N3O2S.
What is the molecular weight of 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid?
The molecular weight of 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid is 313.09 g/mol.
Where can I buy 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid?
You can request a quote for 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]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-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(2-Amino-4-thiazolyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.