Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate
TL;DR: Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate (CAS 72083-45-5) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Also Known As: Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate, Ethyl 2-benzamido-4-methyl-4H-pyrrolo[3,2-d]thiazole-5-carboxylate, ethyl 2-benzamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate, ethyl 2-benzamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carb, 4H-PYRROLO(3,2-D)THIAZOLE-5-CARBOXYLIC ACID, 2-(BENZOYLAMINO)-4-METHYL-, ETHYL ESTER
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 72083-45-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1C)SC(=N2)NC(=O)C3=CC=CC=C3 |
| InChIKey | QZVGBIQXJGHIEN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate (CAS 72083-45-5), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: ethyl 2-benzamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate
Property Insights of Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate
The XLogP value of 3.2 indicates that Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate 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 Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate?
The CAS number of Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate is 72083-45-5.
What is the molecular formula of Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate?
The molecular formula of Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate is C16H15N3O3S.
What is the molecular weight of Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate?
The molecular weight of Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate is 329.08 g/mol.
Where can I buy Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate?
You can request a quote for Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzoylamino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.