3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid
TL;DR: 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid (CAS 198488-13-0) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-3-yl]propanoic acid
Also Known As: 2,4-dimethyl-5-(tert-butoxycarbonyl)-3-pyrrolepropionic acid, 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid, 3-[2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-3-yl]propanoic Acid, 3-{5-[(tert-butoxy)carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl}propanoic acid
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 2.60404 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 494.27963 |
Chemical Identifiers
| CAS Number | 198488-13-0 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)O)C)C(=O)OC(C)(C)C |
Product Overview
3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid (CAS 198488-13-0), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: 3-[2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-3-yl]propanoic acid.
Chemical Property Profile of 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid
Property Insights of 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid
The XLogP value of 2.60404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid has 2 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 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid?
The CAS number of 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid is 198488-13-0.
What is the molecular formula of 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid?
The molecular formula of 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid is C14H21NO4.
What is the molecular weight of 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid?
The molecular weight of 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid is 267.15 g/mol.
Where can I buy 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid?
You can request a quote for 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(tert-Butoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.