RefChem:342331
TL;DR: RefChem:342331 (CAS 72083-46-6) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethoxycarbonylamino)-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Also Known As: Ethyl 2-((ethoxycarbonyl)amino)-4-methyl-4H-pyrrolo(3,2-d)(1,3)thiazole-5-carboxylate, ethyl 2-(ethoxycarbonylamino)-4-methylpyrrolo[3,2-d][1,3]thi, Ethyl 2-((ethoxycarbonyl)amino)-4-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylate, Ethyl 2-((ethoxycarbonyl)amino)-4-methyl-4H-pyrrolo[3,2-d]thiazole-5-carboxylate, ethyl 2-(ethoxycarbonylamino)-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
| Molecular Formula | C12H15N3O4S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.07834 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 72083-46-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1C)SC(=N2)NC(=O)OCC |
| InChIKey | PQCKMCMCYCYEKX-UHFFFAOYSA-N |
Product Overview
RefChem:342331 (CAS 72083-46-6), with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol. IUPAC: ethyl 2-(ethoxycarbonylamino)-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate.
Chemical Property Profile of RefChem:342331
Property Insights of RefChem:342331
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:342331. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:342331. Following Lipinski's Rule of Five, RefChem:342331 has 1 hydrogen bond donor(s) and 6 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 RefChem:342331?
The CAS number of RefChem:342331 is 72083-46-6.
What is the molecular formula of RefChem:342331?
The molecular formula of RefChem:342331 is C12H15N3O4S.
What is the molecular weight of RefChem:342331?
The molecular weight of RefChem:342331 is 297.08 g/mol.
Where can I buy RefChem:342331?
You can request a quote for RefChem:342331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:342331?
Yes, KEHONG BIO provides custom synthesis services for RefChem:342331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.