butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 347332-06-3) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate
Also Known As: butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, butyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate, butyl 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoate
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.86354 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 668.38586 |
Chemical Identifiers
| CAS Number | 347332-06-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=O)C |
Product Overview
butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 347332-06-3), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: butyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate.
Chemical Property Profile of butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 3.86354 indicates that butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate 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 butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 347332-06-3.
What is the molecular formula of butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C18H21NO3.
What is the molecular weight of butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 299.15 g/mol.
Where can I buy butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.