3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
TL;DR: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid (CAS 866019-38-7) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)propanoic acid
Also Known As: Bionet2_001392, 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid, 3-(2H-1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid, 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)propanoic acid, 4W-0890
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.89774 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 670.08057 |
Chemical Identifiers
| CAS Number | 866019-38-7 |
|---|---|
| SMILES | CC1=CC=C(N1C(CC(=O)O)C2=CC3=C(C=C2)OCO3)C |
Product Overview
3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid (CAS 866019-38-7), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)propanoic acid.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
Property Insights of 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid
The XLogP value of 2.89774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid has 1 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-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The CAS number of 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is 866019-38-7.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is C16H17NO4.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid is 287.12 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-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-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.