![dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate structure](/static/products/860/860788-95-0.png)
dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate
TL;DR: dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate (CAS 860788-95-0) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(5-pyrrol-1-yl-2-pyridinyl)propanedioate
Also Known As: dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate, dimethyl 2-(5-pyrrol-1-ylpyridin-2-yl)propanedioate, 1W-0036, 1,3-dimethyl 2-[5-(1H-pyrrol-1-yl)pyridin-2-yl]propanedioate, 1,3-dimethyl2-[5-(1H-pyrrol-1-yl)pyridin-2-yl]propanedioate
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 1.3019 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 574.1463 |
Chemical Identifiers
| CAS Number | 860788-95-0 |
|---|---|
| SMILES | COC(=O)C(C1=NC=C(C=C1)N2C=CC=C2)C(=O)OC |
Product Overview
dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate (CAS 860788-95-0), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: dimethyl 2-(5-pyrrol-1-yl-2-pyridinyl)propanedioate.
Chemical Property Profile of dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate
Property Insights of dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate
The XLogP value of 1.3019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate. Following Lipinski's Rule of Five, dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate has 0 hydrogen bond donor(s) and 5 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-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate?
The CAS number of dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate is 860788-95-0.
What is the molecular formula of dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate?
The molecular formula of dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate is C14H14N2O4.
What is the molecular weight of dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate?
The molecular weight of dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate is 274.10 g/mol.
Where can I buy dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate?
You can request a quote for dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]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-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[5-(1H-pyrrol-1-yl)-2-pyridinyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.