![methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate structure](/static/products/1172/1172047-05-0.webp)
methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
TL;DR: methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate (CAS 1172047-05-0) is a chemical compound with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate, AB00724453-01, methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoate, methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate hydrochloride, methyl4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
| Molecular Formula | C17H17N3O2S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.58644 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.10416 |
| Heavy Atoms | 23 |
| Complexity | 862.5984 |
Chemical Identifiers
| CAS Number | 1172047-05-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CSC(=N3)N |
Product Overview
methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate (CAS 1172047-05-0), with molecular formula C17H17N3O2S and molecular weight 327.10 g/mol. IUPAC: methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
Property Insights of methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
The XLogP value of 3.58644 indicates that methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate has 1 hydrogen bond donor(s) and 5 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 methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate?
The CAS number of methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate is 1172047-05-0.
What is the molecular formula of methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate?
The molecular formula of methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate is C17H17N3O2S.
What is the molecular weight of methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate?
The molecular weight of methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate is 327.10 g/mol.
Where can I buy methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate?
You can request a quote for methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.