diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate
TL;DR: diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate (CAS 72010-38-9) 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.
diethyl 2-[(1-methylindol-3-yl)methylidene]propanedioate
Also Known As: diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate, diethyl 2-[(1-methylindol-3-yl)methylidene]propanedioate, diethyl [(1-methyl-1H-indol-3-yl)methylidene]propanedioate, diethyl 2-[(1-methylindol-3-yl)methylene]propanedioate, 1,3-diethyl 2-[(1-methyl-1H-indol-3-yl)methylidene]propanedioate
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 2.6879 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 707.3342 |
Chemical Identifiers
| CAS Number | 72010-38-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CN(C2=CC=CC=C21)C)C(=O)OCC |
Product Overview
diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate (CAS 72010-38-9), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: diethyl 2-[(1-methylindol-3-yl)methylidene]propanedioate.
Chemical Property Profile of diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate
Property Insights of diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate
The XLogP value of 2.6879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate. With a topological polar surface area (TPSA) of 57.53 Ų, diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl 2-((1-methyl-1H-indol-3-yl)methylene)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 diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
The CAS number of diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate is 72010-38-9.
What is the molecular formula of diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
The molecular formula of diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate is C17H19NO4.
What is the molecular weight of diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
The molecular weight of diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate is 301.13 g/mol.
Where can I buy diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
You can request a quote for diethyl 2-((1-methyl-1H-indol-3-yl)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-((1-methyl-1H-indol-3-yl)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.