(5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate
TL;DR: (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate (CAS 30569-18-7) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-formyl-1-methylpyrrol-2-yl)methyl acetate
Also Known As: (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate, 5- -1-methyl-1H-pyrrole-2-carbaldehyde, (5-formyl-1-methylpyrrol-2-yl)methyl acetate, (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate #, 5-(Acetoxymethyl)-1-methyl-1H-pyrrole-2-carbaldehyde
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 30569-18-7 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(N1C)C=O |
| InChIKey | SGWNRXDQJJHFML-UHFFFAOYSA-N |
Product Overview
(5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate (CAS 30569-18-7), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: (5-formyl-1-methylpyrrol-2-yl)methyl acetate.
Chemical Property Profile of (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate
Property Insights of (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate. With a topological polar surface area (TPSA) of 48.3 Ų, (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate has 0 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 (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate?
The CAS number of (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate is 30569-18-7.
What is the molecular formula of (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate?
The molecular formula of (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate is C9H11NO3.
What is the molecular weight of (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate?
The molecular weight of (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate is 181.07 g/mol.
Where can I buy (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate?
You can request a quote for (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Formyl-1-methyl-1H-pyrrol-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.