![dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate structure](/static/products/866/866137-11-3.png)
dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate
TL;DR: dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate (CAS 866137-11-3) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanedioate
Also Known As: dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate, Dimethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanedioate, 1,3-dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]propanedioate, 8T-0093, Dimethyl [4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]propanedioate
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 2.52374 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 649.6846 |
Chemical Identifiers
| CAS Number | 866137-11-3 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate (CAS 866137-11-3), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: dimethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]propanedioate.
Chemical Property Profile of dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate
Property Insights of dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate
The XLogP value of 2.52374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate. With a topological polar surface area (TPSA) of 57.53 Ų, dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate has 0 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 dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate?
The CAS number of dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate is 866137-11-3.
What is the molecular formula of dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate?
The molecular formula of dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate is C17H19NO4.
What is the molecular weight of dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate?
The molecular weight of dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate is 301.13 g/mol.
Where can I buy dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate?
You can request a quote for dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.