methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate
TL;DR: methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate (CAS 476335-37-2) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate
Also Known As: methyldimethylpyrrolylbutanoate, methyl (2S)-3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoate, methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate, 5N-052, methyl (2S)-3,3-dimethyl-2-pyrrolylbutanoate
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 2.2483 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 295.58746 |
Chemical Identifiers
| CAS Number | 476335-37-2 |
|---|---|
| SMILES | CC(C)(C)[C@@H](C(=O)OC)N1C=CC=C1 |
Product Overview
methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate (CAS 476335-37-2), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate.
Chemical Property Profile of methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate
Property Insights of methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate
The XLogP value of 2.2483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate. With a topological polar surface area (TPSA) of 31.23 Ų, methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate has 0 hydrogen bond donor(s) and 2 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 (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate?
The CAS number of methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate is 476335-37-2.
What is the molecular formula of methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate?
The molecular formula of methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate is C11H17NO2.
What is the molecular weight of methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate?
The molecular weight of methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate is 195.13 g/mol.
Where can I buy methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate?
You can request a quote for methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-3,3-dimethyl-2-pyrrol-1-ylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.