AI-034/31406024
TL;DR: AI-034/31406024 (CAS 74304-00-0) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(3-hydroxy-3-methylbut-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: AI-034/31406024, diethyl 5-(3-hydroxy-3-methyl-1-butynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate, Diethyl 5-(3-hydroxy-3-methyl-but-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate, diethyl 5-(3-hydroxy-3-methylbut-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate, ethyl 4-(ethoxycarbonyl)-5-(3-hydroxy-3-methylbut-1-ynyl)-3-methylpyrrole-2-ca rboxylate
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 1.79892 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 625.43207 |
Chemical Identifiers
| CAS Number | 74304-00-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C#CC(C)(C)O |
Product Overview
AI-034/31406024 (CAS 74304-00-0), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: diethyl 5-(3-hydroxy-3-methylbut-1-ynyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of AI-034/31406024
Property Insights of AI-034/31406024
The XLogP value of 1.79892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI-034/31406024. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-034/31406024. Following Lipinski's Rule of Five, AI-034/31406024 has 2 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 AI-034/31406024?
The CAS number of AI-034/31406024 is 74304-00-0.
What is the molecular formula of AI-034/31406024?
The molecular formula of AI-034/31406024 is C16H21NO5.
What is the molecular weight of AI-034/31406024?
The molecular weight of AI-034/31406024 is 307.14 g/mol.
Where can I buy AI-034/31406024?
You can request a quote for AI-034/31406024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-034/31406024?
Yes, KEHONG BIO provides custom synthesis services for AI-034/31406024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.