1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one
TL;DR: 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one (CAS 499182-98-8) 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.
(E)-1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: AF-399/41753362, 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one, (E)-1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.9366 |
| Topological Polar Surface Area | 60.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 644.54663 |
Chemical Identifiers
| CAS Number | 499182-98-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1/C=C/C(=O)C2=CC=CN2)OC)OC |
Product Overview
1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one (CAS 499182-98-8), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: (E)-1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one
Property Insights of 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one
The XLogP value of 2.9366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one. The TPSA of 60.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one. Following Lipinski's Rule of Five, 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one has 1 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 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one?
The CAS number of 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one is 499182-98-8.
What is the molecular formula of 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one?
The molecular formula of 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one is C16H17NO4.
What is the molecular weight of 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one?
The molecular weight of 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one is 287.12 g/mol.
Where can I buy 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one?
You can request a quote for 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-pyrrol-2-yl)-3-(2,4,5-trimethoxyphenyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.