diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate
TL;DR: diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate (CAS 156335-36-3) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(pyrrol-1-ylamino)methylidene]propanedioate
Also Known As: diethyl (1-pyrrolyl)aminomethylenepropanedioate, diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate, Diethyl 2-[(pyrrol-1-ylamino)methylidene]propanedioate
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.0417 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 403.29562 |
Chemical Identifiers
| CAS Number | 156335-36-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNN1C=CC=C1)C(=O)OCC |
Product Overview
diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate (CAS 156335-36-3), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: diethyl 2-[(pyrrol-1-ylamino)methylidene]propanedioate.
Chemical Property Profile of diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate
Property Insights of diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate
The XLogP value of 1.0417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate. Following Lipinski's Rule of Five, diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate has 1 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 diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate?
The CAS number of diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate is 156335-36-3.
What is the molecular formula of diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate?
The molecular formula of diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate is C12H16N2O4.
What is the molecular weight of diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate?
The molecular weight of diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate is 252.11 g/mol.
Where can I buy diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate?
You can request a quote for diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-((1H-pyrrol-1-ylamino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.