3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid
TL;DR: 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid (CAS 338963-14-7) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-2-pyrrol-1-ylbutanoic acid
Also Known As: 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid, 3,3-dimethyl-2-pyrrol-1-ylbutanoic acid, 3,3-dimethyl-2-pyrrol-1-yl-butanoic Acid, 3,3-dimethyl-2-(pyrrol-1-yl)butanoic acid, 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoicacid
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.1599 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 282.37344 |
Chemical Identifiers
| CAS Number | 338963-14-7 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)O)N1C=CC=C1 |
Product Overview
3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid (CAS 338963-14-7), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 3,3-dimethyl-2-pyrrol-1-ylbutanoic acid.
Chemical Property Profile of 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid
Property Insights of 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid
The XLogP value of 2.1599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 1 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 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid?
The CAS number of 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid is 338963-14-7.
What is the molecular formula of 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid?
The molecular formula of 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid is C10H15NO2.
What is the molecular weight of 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid?
The molecular weight of 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid is 181.11 g/mol.
Where can I buy 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid?
You can request a quote for 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.