3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid
TL;DR: 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 851175-84-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid
Also Known As: 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid, (2E)-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid, (E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid, (2E)-3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)acrylic acid, 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoic Acid
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.61274 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 388.57153 |
Chemical Identifiers
| CAS Number | 851175-84-3 |
|---|---|
| SMILES | CCCN1C(=CC(=C1C)/C=C/C(=O)O)C |
Product Overview
3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 851175-84-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: (E)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid
Property Insights of 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid
The XLogP value of 2.61274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic 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-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The CAS number of 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid is 851175-84-3.
What is the molecular formula of 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular formula of 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid is C12H17NO2.
What is the molecular weight of 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular weight of 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid is 207.13 g/mol.
Where can I buy 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid?
You can request a quote for 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.