methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate
TL;DR: methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate (CAS 1164533-60-1) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate
Also Known As: (S)-methyl 2-(3,4-diacetyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbutanoate, methyl (2S)-2-(3,4-diacetyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbutanoate, methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate, (2S)-2-(3,4-diacetyl-2,5-dimethyl-1-pyrrolyl)-3-methylbutanoic acid methyl ester, (2S)-2-(3,4-diacetyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-butyric acid methyl ester
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.88024 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 558.4084 |
Chemical Identifiers
| CAS Number | 1164533-60-1 |
|---|---|
| SMILES | CC1=C(C(=C(N1[C@@H](C(C)C)C(=O)OC)C)C(=O)C)C(=O)C |
Product Overview
methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate (CAS 1164533-60-1), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate.
Chemical Property Profile of methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate
Property Insights of methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate
The XLogP value of 2.88024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate. Following Lipinski's Rule of Five, methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate has 0 hydrogen bond donor(s) and 4 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)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate?
The CAS number of methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate is 1164533-60-1.
What is the molecular formula of methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate?
The molecular formula of methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate is C16H23NO4.
What is the molecular weight of methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate?
The molecular weight of methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate is 293.16 g/mol.
Where can I buy methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate?
You can request a quote for methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.