methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate
TL;DR: methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate (CAS 343373-28-4) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-formylpyrrol-1-yl)-3,3-dimethylbutanoate
Also Known As: methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate, methyl 2-(2-formylpyrrol-1-yl)-3,3-dimethylbutanoate, 6N-012, methyl 2-(2-formylpyrrol-1-yl)-3,3-dimethyl-butanoate, methyl2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.0608 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 387.2133 |
Chemical Identifiers
| CAS Number | 343373-28-4 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OC)N1C=CC=C1C=O |
Product Overview
methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate (CAS 343373-28-4), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: methyl 2-(2-formylpyrrol-1-yl)-3,3-dimethylbutanoate.
Chemical Property Profile of methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate
Property Insights of methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate
The XLogP value of 2.0608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate has 0 hydrogen bond donor(s) and 3 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 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate?
The CAS number of methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate is 343373-28-4.
What is the molecular formula of methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate?
The molecular formula of methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate is C12H17NO3.
What is the molecular weight of methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate?
The molecular weight of methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate is 223.12 g/mol.
Where can I buy methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate?
You can request a quote for methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-formyl-1H-pyrrol-1-yl)-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.